SCHEMBL4458164

SCHEMBL4458164

CCCCOP(=O)(OCCCC)c1cccc(CCC)c1CCC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.35

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 0.91 CYP3A4 (0.38) CYP3A4HIF1A
SCHEMBL4454043 0.91 MEN1 (0.40) LTB4RLTB4R2
SCHEMBL4461987 0.86 HIF1A (0.42) CYP3A4HIF1A
SCHEMBL4452198 0.86 MEN1 (0.47) LTB4RLTB4R2
SCHEMBL4458166 0.86 PLA2G2D (0.46) CYP3A4HIF1ALTB4RLTB4R2PLA2G2D
SCHEMBL4451487 0.85 MEN1 (0.38) HIF1ALTB4RLTB4R2PLA2G2D
SCHEMBL4452190 0.85 CYP3A4 (0.40) CYP3A4HIF1APLA2G2D
SCHEMBL4462486 0.81 ELANE (0.34) LTB4RLTB4R2
SCHEMBL4460866 0.81 MEN1 (0.44)
SCHEMBL4451490 0.80 HIF1A (0.42) CYP3A4HIF1A

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