SCHEMBL4458049

SCHEMBL4458049

CCCCc1ccccc1P(=O)(O)Oc1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ALOX5 P09917 3/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
PPARA Q07869 3/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 2/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
ALDH1A1 P00352 1/20 0.35
APLNR P35414 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PTK2B Q14289 1/20 0.35
PTGES O14684 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 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
SCHEMBL4453644 0.92 MAPT (0.47) MAPTHIF1AELANEALDH1A1NPC1
SCHEMBL4454793 0.90 THRA (0.39) MAPTALOX5PTGS2HIF1APPARA
SCHEMBL4451713 0.88 MAPT (0.50) MAPTALDH1A1NPC1POLBPTK2B
SCHEMBL4453557 0.87 LTB4R (0.40) ALOX5PTGS2HIF1APPARATHRA
SCHEMBL4454808 0.85 PPARA (0.40) ALOX5PTGS2HIF1APPARATHRA
SCHEMBL4449167 0.85 LTB4R (0.44) ALOX5PTGS2HIF1APPARATHRA
SCHEMBL4453965 0.85 ALOX5 (0.38) ALOX5PTGS2HIF1APPARATHRA
SCHEMBL4451594 0.84 ALOX5 (0.39) ALOX5PTGS2HIF1APPARATHRA
SCHEMBL4452106 0.84 LTB4R (0.40) ALOX5PTGS2HIF1APPARATHRA
SCHEMBL11125294 0.82 PPARA (0.45) ALOX5PTGS2HIF1APPARATHRA

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed