SCHEMBL6296180

SCHEMBL6296180

CCCC(c1cc(O)c(C)c(C(C)(C)C)c1)c1cc(O)c(C)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.54
CYP2C19 P33261 5/20 0.54
ALOX15 P16050 4/20 0.54
TP53 P04637 3/20 0.54
CYP2D6 P10635 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.36
CYP1A2 P05177 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
TYR P14679 2/20 0.33
CA2 P00918 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL223426 0.82 ALOX15 (0.51) CYP2C9CYP2C19ALOX15TP53CYP2D6
SCHEMBL70745 0.80 CYP2C9 (0.54) CYP2C9CYP2C19ALOX15TP53CYP2D6
SCHEMBL8088903 0.78 ALOX15 (0.55) CYP2C9CYP2C19ALOX15TP53CYP2D6
SCHEMBL11455102 0.77 TSHR (0.54) CYP2C9CYP2C19ALOX15TP53CYP2D6
SCHEMBL2017741 0.73 CYP2C9 (0.62) CYP2C9CYP2C19ALOX15TP53CYP2D6
SCHEMBL1595843 0.72 CA2 (0.54) CYP2C9CYP2C19ALOX15TP53CYP2D6
SCHEMBL2295800 0.71 ALOX15 (0.44) CYP2C9CYP2C19ALOX15TP53CYP2D6
SCHEMBL2017743 0.70 CYP2C9 (0.62) CYP2C9CYP2C19ALOX15TP53CYP2D6
SCHEMBL8943865 0.70 CYP2D6 (0.43) CYP2C9CYP2C19ALOX15TP53CYP2D6
SCHEMBL39107 0.70 CYP2C9 (1.00) CYP2C9CYP2C19ALOX15TP53CYP2D6

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-6843948-B2 Vinylidene fluoride resin compositions and articles molded therefrom KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2005-01-18 US disclosed
EP-1000977-B1 VINYLIDENE FLUORIDE RESIN COMPOSITIONS AND ARTICLES MOLDED THEREFROM KUREHA CHEMICAL IND CO LTD (JP) 2003-12-03 EP disclosed
US-20030050369-A1 Vinylidene fluoride resin compositions and articles molded therefrom KUREHA CORPORATION (JP) 2003-03-13 US disclosed
US-6512032-B1 A vinylidene fluoride resin composition which is stable to heat at molding temperatures and is free from foaming and coloration, and molded products made by forming the vinylidene fluoride resin composition are provided. The KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-28 US disclosed
EP-0570795-B1 Antistatic plastic parts AGFA GEVAERT AG (DE) 1998-08-19 EP disclosed
US-4038256-A NONSTAINING POLYURETHANE FROM CYCLOALIPHATIC OR ALIPHATIC DIISOCYANATES AND POLYHEXENEDIOL-PHTHALATES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-07-26 US disclosed