SCHEMBL4454058

SCHEMBL4454058

CCCCc1cccc(P(=O)(O)Oc2ccccc2)c1CCCC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CETP P11597 2/20 0.37
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.36
PPARA Q07869 1/20 0.36
GGPS1 O95749 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL4455892 0.89 SRC (0.41) SRCL3MBTL1PPARALTB4RLTB4R2
SCHEMBL4454781 0.87 THRA (0.40) HIF1APPARALTB4RLTB4R2
SCHEMBL4454056 0.86 L3MBTL1 (0.40) L3MBTL1HIF1A
SCHEMBL4462328 0.86 ALOX5 (0.39) HIF1APPARALTB4RLTB4R2
SCHEMBL4453965 0.85 ALOX5 (0.38) HIF1APPARALTB4RLTB4R2
SCHEMBL4452137 0.85 LTB4R (0.44) HIF1APPARALTB4RLTB4R2
SCHEMBL4460813 0.83 ALOX5 (0.40) HIF1ATSHRPPARALTB4RLTB4R2
SCHEMBL4460867 0.82 ALDH1A1 (0.45) CETPPPARA
SCHEMBL4449254 0.82 LTB4R (0.44) HIF1APPARALTB4RLTB4R2
SCHEMBL4454579 0.82 SRC (0.44) SRCL3MBTL1

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