SCHEMBL6286438

SCHEMBL6286438

CCCCCCOC(CCCCCC)(CC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
FFAR1 O14842 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
CPT2 P23786 1/20 0.40
HSPD1 P10809 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38

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
SCHEMBL429974 1.00 TDP1 (0.40) TDP1FFAR1S1PR4S1PR1S1PR3
SCHEMBL28146042 1.00 TDP1 (0.40) TDP1FFAR1S1PR4S1PR1S1PR3
SCHEMBL14672442 1.00 TDP1 (0.40) TDP1FFAR1S1PR4S1PR1S1PR3
SCHEMBL14672446 1.00 TDP1 (0.40) TDP1FFAR1S1PR4S1PR1S1PR3
SCHEMBL8416051 1.00 TDP1 (0.40) TDP1FFAR1S1PR4S1PR1S1PR3
SCHEMBL9513981 0.91 HSPD1 (0.42) TDP1FFAR1HSPD1BLMHSPE1
SCHEMBL8505820 0.91 HSPD1 (0.42) TDP1FFAR1HSPD1BLMHSPE1
SCHEMBL8507314 0.91 HSPD1 (0.42) TDP1FFAR1HSPD1BLMHSPE1
SCHEMBL9513723 0.91 HSPD1 (0.42) TDP1FFAR1HSPD1BLMHSPE1
SCHEMBL9809582 0.91 HSPD1 (0.42) TDP1FFAR1HSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596811-B1 Molded PVC medical device TERUMO CORP (JP) 1999-09-15 EP claimed
EP-2554049-B1 Herbicidal composition with improved efficiency, preparation method and use ARD SA (FR) 2016-03-02 EP disclosed
EP-2554049-A1 Herbicidal composition with improved efficiency, preparation method and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-06 EP disclosed
CN-1229449-C Malic acid diester surfactant AIR PROD & CHEM (US) 2005-11-30 CN disclosed
US-6969738-B2 Malic acid diester surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-11-29 US disclosed
US-20020103280-A1 Malic acid diester surfactants LASSILA KEVIN RODNEY (US) 2002-08-01 US disclosed
US-6369146-B1 AN AQUEOUS ORGANIC COATING COMPRISING A RESIN, SURFACTANT, WETTING AGENT, FLOW AND LEVELING AGENTS AND AN HYDROXY DIALKYL(C3-6) MALEATE; REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION; COATINGS; INKS; ADHESIVES; HERBICIDES AIR PRODUCTS AND CHEMICALS, INC. 2002-04-09 US disclosed
CN-1302833-A Malic acid diester surfactant AIR PROD & CHEM (US) 2001-07-11 CN disclosed
EP-1095988-A2 Malic acid diester surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-05-02 EP disclosed