SCHEMBL3838853

SCHEMBL3838853

CCCCCCCCCCCCCC(CC(C)C)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.59
CA2 P00918 1/20 0.50
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
FAAH O00519 1/20 0.45
BIRC2 Q13490 2/20 0.44
ACE2 Q9BYF1 1/20 0.44
GPR84 Q9NQS5 3/20 0.44
CA1 P00915 2/20 0.44
FFAR1 O14842 1/20 0.44
MMP8 P22894 1/20 0.44
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4628139 1.00 KISS1R (0.59) KISS1RCA2GRIK1GRIK2SLC1A2
SCHEMBL2728924 0.86 CA2 (0.52) KISS1RCA2GRIK1GRIK2SLC1A2
SCHEMBL27885036 0.86 CA2 (0.52) KISS1RCA2GRIK1GRIK2SLC1A2
SCHEMBL1260468 0.85 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9639022 0.85 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1038699 0.85 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1259905 0.85 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL11380532 0.85 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9727189 0.85 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1260244 0.85 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918585-B1 PYRROLOQUINOLINE QUINONE DISODIUM SALT CRYSTAL ZHUCHENG HAOTIAN PHARM CO LTD (CN) 2017-09-06 EP claimed
EP-2557130-B1 ANTIREFLECTIVE COATING COMPOSITION, ANTIREFLECTIVE FILM, AND PREPARATION METHOD THEREOF LG CHEMICAL LTD (KR) 2016-09-28 EP claimed
EP-1797021-B1 METHODS FOR THE SEPARATION OF MODAFINIL CEPHALON INC (US) 2008-12-03 EP claimed
EP-1704144-B1 A METHOD OF PREPARATION OF THE HEMI-CALCIUM SALT OF (E)-7- [4-(4-FLUOROPHENYL)-6-ISOPROPYL-2- [ME THYL(METHYLSULFONYL)AMINO]PYRIMIDIN-5-YL](3R,5S)-3,5-DIHYDROXY-6-HEPTENOIC ACID ZENTIVA AS (CZ) 2007-02-07 EP claimed
EP-0642335-B2 CONTROLLED RELEASE PREPARATION CONTAINING A SALT OF MORPHINE PHARMACIA AB (SE) 2005-01-19 EP claimed
EP-0719254-B1 METHOD FOR THE PREPARATION OF HIGH PURITY SUBSTITUTED BENZ E]INDOLES AND THE ALKALINE SALTS THEREOF RECH S BIOLOG SOC ET (FR) 2001-05-30 EP claimed
EP-0657544-B1 Process for preparing optically active glycidate esters SEPRACOR INC (US) 1997-12-29 EP claimed
EP-0339118-B1 Preparation of polymorphically pure terfenadine MERRELL DOW PHARMA (US) 1994-06-15 EP claimed
EP-0342097-A1 Method and apparatus for the purification of rinsing bath after brightening and for recovery of the brightening acids contained in these rinsing baths SOCIETE DE RECHERCHES TECHNIQUES ET INDUSTRIELLES (SRTI) (FR) 1989-11-15 EP claimed
EP-1000043-B1 A CRYSTALLINE DIBENZOTHIAZEPINE DERIVATIVE AND ITS USE AS AN ANTIPSYCHOTIC AGENT ASTRAZENECA AB (SE) 2009-10-07 EP disclosed
EP-0719254-B1 METHOD FOR THE PREPARATION OF HIGH PURITY SUBSTITUTED BENZ E]INDOLES AND THE ALKALINE SALTS THEREOF RECH S BIOLOG SOC ET (FR) 2001-05-30 EP disclosed
EP-1000043-A1 A CRYSTALLINE DIBENZOTHIAZEPINE DERIVATIVE AND ITS USE AS AN ANTIPSYCHOTIC AGENT AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999006381-A1 A CRYSTALLINE DIBENZOTHIAZEPINE DERIVATIVE AND ITS USE AS AN ANTIPSYCHOTIC AGENT ZENECA LIMITED (GB) 1999-02-11 WO disclosed
EP-0719254-A1 METHOD FOR THE PREPARATION OF HIGH PURITY SUBSTITUTED BENZ E]INDOLES AND THE ALKALINE SALTS THEREOF Societe d'Etudes et de Recherches Biologiques (FR) 1996-07-03 EP disclosed
WO-1995007888-A1 METHOD FOR THE PREPARATION OF HIGH PURITY SUBSTITUTED BENZ[E]INDOLES AND THE ALKALINE SALTS THEREOF SOCIETE D'ETUDES ET DE RECHERCHES BIOLOGIQUES (FR) 1995-03-23 WO disclosed
EP-0342097-A1 Method and apparatus for the purification of rinsing bath after brightening and for recovery of the brightening acids contained in these rinsing baths SOCIETE DE RECHERCHES TECHNIQUES ET INDUSTRIELLES (SRTI) (FR) 1989-11-15 EP disclosed
EP-0328466-A1 Emulsifiable concentrates of biocidal materials, aqueous microemulsions obtained and use of these microemulsions in the treatment of wood XYLOCHIMIE (FR) 1989-08-16 EP disclosed
EP-0102291-B1 CEPHALOSPORIN DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM RHONE-POULENC SANTE (FR) 1986-01-08 EP disclosed
EP-0004555-A2 Electron sensitive resin containing a metallic methacrylate salt and its application in electron-beam lithography International Business Machines Corporation (US) 1979-10-17 EP disclosed