SCHEMBL2693997

SCHEMBL2693997

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
PPARG P37231 5/20 0.56
F7 P08709 4/20 0.56
F3 P13726 4/20 0.56
PPARD Q03181 4/20 0.56
PPARA Q07869 4/20 0.56
KDM4E B2RXH2 4/20 0.56
FFAR1 O14842 3/20 0.56
FABP3 P05413 3/20 0.56
PTGS1 P23219 2/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP19A1 P11511 2/20 0.56
FABP4 P15090 2/20 0.56
HPGD P15428 2/20 0.56
ALOX15 P16050 2/20 0.56
NR4A2 P43354 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
DUSP3 P51452 1/20 0.56

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
SCHEMBL9236605 0.99 PPARG (0.55) ALDH1A1PPARGF7F3PPARD
SCHEMBL3200601 0.97 SOAT2 (0.56) ALDH1A1PPARGF7F3PPARD
SCHEMBL28686611 0.97 SOAT2 (0.56) ALDH1A1PPARGF7F3PPARD
SCHEMBL11169921 0.97 SOAT2 (0.56) ALDH1A1PPARGF7F3PPARD
SCHEMBL3527462 0.96 SOAT2 (0.54) ALDH1A1PPARGF7F3PPARD
SCHEMBL28412735 0.96 SOAT2 (0.54) ALDH1A1PPARGF7F3PPARD
SCHEMBL5270872 0.96 SOAT2 (0.54) ALDH1A1PPARGF7F3PPARD
SCHEMBL11129081 0.96 SOAT2 (0.54) ALDH1A1PPARGF7F3PPARD
SCHEMBL27788707 0.90 PPARG (0.51) ALDH1A1PPARGF7F3PPARD
SCHEMBL2149399 0.89 CES2 (0.58) ALDH1A1LMNATDP1TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206264-B2 Method for producing modified conjugated diene based (co)polymer, modified conjugated diene based (co)polymer, and rubber composition JSR CORPORATION (JP) 2015-12-08 US disclosed
EP-2130842-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORP (JP) 2013-05-15 EP disclosed
US-8178626-B2 Method for producing modified conjugated diene based (co)polymer, modified conjugated diene based (co)polymer, and rubber composition JSR CORPORATION (JP) 2012-05-15 US disclosed
US-20120108737-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE BASED (CO)POLYMER, MODIFIED CONJUGATED DIENE BASED (CO)POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2012-05-03 US disclosed
US-20100152369-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE BASED (CO)POLYMER, MODIFIED CONJUGATED DIENE BASED (CO)POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2010-06-17 US disclosed
EP-2130842-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR Corporation (JP) 2009-12-09 EP disclosed