SCHEMBL4200639

SCHEMBL4200639

COc1cccc(-c2cccc(OC)c2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2E1 P05181 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C8 P10632 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2A6 P11509 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP4B1 P13584 2/20 0.56
CYP2B6 P20813 2/20 0.56
CYP3A5 P20815 2/20 0.56
CYP2A7 P20853 2/20 0.56
CYP3A7 P24462 2/20 0.56
CYP2F1 P24903 2/20 0.56
CYP2C18 P33260 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2J2 P51589 2/20 0.56
CYP4F2 P78329 2/20 0.56
CYP4F8 P98187 2/20 0.56
CYP4A11 Q02928 2/20 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
SCHEMBL14118224 0.89 CD274 (0.60) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL5885040 0.86 CYP1A1 (0.46) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL5849737 0.85 CYP1A1 (0.65) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL163034 0.84 CD274 (0.52) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL4477977 0.81 CD274 (0.50) CD274HTR7PDCD1ALDH1A1LMNA
SCHEMBL30112655 0.81 CYP3A4 (0.69) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL28189326 0.81 CYP1A2 (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL28184418 0.81 CYP3A4 (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL2020140 0.81 ABL1 (0.59) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL16806016 0.80 CYP1A1 (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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
US-7601775-B2 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2009-10-13 US disclosed
US-20060167164-A1 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2006-07-27 US disclosed
EP-1507829-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA Nippon Shokubai Co., Ltd. (JP) 2005-02-23 EP disclosed
WO-2003099934-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA NIPPON SHOKUBAI CO., LTD. (JP) 2003-12-04 WO disclosed