SCHEMBL4455892

SCHEMBL4455892

CCCc1cccc(P(=O)(O)Oc2ccccc2)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ANPEP P15144 2/20 0.37
LAP3 P28838 2/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA5B Q9Y2D0 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
SCHEMBL4454058 0.89 SRC (0.39) SRCL3MBTL1LTB4RLTB4R2PPARA
SCHEMBL4460503 0.86 LTB4R (0.42) LTB4RLTB4R2ALDH1A1
SCHEMBL4455891 0.86 L3MBTL1 (0.42) SRCL3MBTL1LTB4RLTB4R2PPARG
SCHEMBL4451708 0.85 LTB4R (0.39) L3MBTL1LTB4RLTB4R2ALDH1A1
SCHEMBL4454579 0.84 SRC (0.44) SRCL3MBTL1ANPEPLAP3CYP2C9
SCHEMBL4451201 0.83 LTB4R (0.37) LTB4RLTB4R2ALDH1A1
SCHEMBL4462488 0.82 LTB4R (0.34) LTB4RLTB4R2ALDH1A1PPARA
SCHEMBL4449254 0.82 LTB4R (0.44) LTB4RLTB4R2ALDH1A1PPARGPPARA
SCHEMBL4452201 0.81 ALDH1A1 (0.47) LTB4RLTB4R2ALDH1A1
SCHEMBL4458071 0.81 LTB4R (0.42) LTB4RLTB4R2ALDH1A1

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