SCHEMBL4451487

SCHEMBL4451487

CCCCc1cccc(P(=O)(OCCC)OCCC)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
HIF1A Q16665 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
PPARA Q07869 1/20 0.33
PLA2G2D Q9UNK4 1/20 0.33

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
SCHEMBL4448581 0.94 CYP3A4 (0.38) HIF1A
SCHEMBL4460866 0.90 MEN1 (0.44) MEN1KMT2AALOX5PTGS2PPARA
SCHEMBL4454043 0.88 MEN1 (0.40) MEN1KMT2ALTB4RLTB4R2
SCHEMBL4448616 0.86 MEN1 (0.45) MEN1KMT2AHIF1A
SCHEMBL4451489 0.86 PLA2G2D (0.44) MEN1KMT2AALOX5PTGS2HIF1A
SCHEMBL4458164 0.85 CYP3A4 (0.38) HIF1ALTB4RLTB4R2PLA2G2D
SCHEMBL4460811 0.85 PTGS2 (0.39) ALOX5PTGS2HIF1APPARA
SCHEMBL4451697 0.81 MEN1 (0.42) MEN1KMT2AHIF1A
SCHEMBL4451490 0.80 HIF1A (0.42) HIF1A
SCHEMBL4448583 0.80 PLA2G2D (0.46) HIF1APLA2G2D

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