SCHEMBL3684081

SCHEMBL3684081

CC(C)Cc1ccccc1OP(=O)(Oc1ccc(-c2ccccc2)cc1)Oc1ccccc1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
ANPEP P15144 1/20 0.37
LAP3 P28838 1/20 0.37
HTT P42858 1/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 3/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34

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
SCHEMBL3832980 0.91 ANPEP (0.43) CYP3A4TSHRANPEPLAP3HTT
SCHEMBL15020257 0.91 ANPEP (0.43) CYP3A4TSHRANPEPLAP3HTT
SCHEMBL31271189 0.87 GABRA1 (0.42) SMN1; SMN2ANPEPLAP3HTT
SCHEMBL1788160 0.87 GABRA1 (0.42) SMN1; SMN2ANPEPLAP3HTT
SCHEMBL3683697 0.85 CYP3A4 (0.42) CYP3A4TSHRSMN1; SMN2MAPTHTT
SCHEMBL3681942 0.84 LMNA (0.41) PKMSMN1; SMN2MAPTHTT
SCHEMBL3802352 0.82 NPC1 (0.40) CYP3A4TSHRSMN1; SMN2HTTPPARA
Biphenyl SCHEMBL27686664 0.81 ALDH1A1 (0.45) SMN1; SMN2ANPEPLAP3HTT
SCHEMBL3688251 0.80 THRA (0.39) PPARA
SCHEMBL3690617 0.78 CYP3A4 (0.41) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168299-A1 Flame-Retardant Polyester Fibers and Preparation Process Thereof DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-07-01 US disclosed
EP-1857586-A1 FLAME-RETARDANT POLYESTER FIBER AND METHOD FOR PRODUCING SAME DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-11-21 EP disclosed