SCHEMBL7784141

SCHEMBL7784141

CCCCC(CC)Cc1ccc(Oc2ccc(CC(CC)CCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.42
BDKRB2 P30411 2/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
CA2 P00918 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL153634 0.89 BDKRB2 (0.48) BDKRB2ALDH1A1CYP3A4CA2TDP1
SCHEMBL27898395 0.88 TDP1 (0.49) TDP1
SCHEMBL9151303 0.85 CNR1 (0.41)
SCHEMBL11249971 0.85 BDKRB2 (0.38) BDKRB2PPARAALDH1A1CYP3A4CA2
SCHEMBL15871325 0.85 LMNA (0.46) LTA4HPPARGPPARATSHRL3MBTL1
SCHEMBL11352681 0.83 ALDH1A1 (0.39) BDKRB2PPARGPPARAALDH1A1CYP3A4
SCHEMBL5520289 0.82 ALDH1A1 (0.38) BDKRB2PPARGPPARAALDH1A1CYP3A4
SCHEMBL10470157 0.82 ALDH1A1 (0.38) BDKRB2PPARGPPARAALDH1A1CYP3A4
SCHEMBL10955898 0.82 ALDH1A1 (0.38) BDKRB2PPARGPPARAALDH1A1CYP3A4
SCHEMBL1033135 0.81 BDKRB2 (0.43) BDKRB2ALDH1A1CYP3A4CA2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0803548-B1 Colored thermoplastic resin composition ORIENT CHEMICAL IND (JP) 2001-10-24 EP disclosed
US-5827911-A BLACK DYE IS OBTAINED BY REACTION OF NIGROSINE AND ATLEAST ONE ANIONIC SURFACTANT SELECTED FROM SULFURIC ACID ESTER OR SALTS, PHSOPHORIC ACID ESTER OR SALTS, SULFONIC ACID OR SALTS AND CARBOXYLIC ACID OR SALTS ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-27 US disclosed
EP-0803548-A2 Colored thermoplastic resin composition ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed
US-4066707-A METHOD FOR MANUFACTURE OF DIPHENOLS AND MONOALKYL ETHERS OF DIPHENOLS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1978-01-03 US disclosed