SCHEMBL4451785

SCHEMBL4451785

CCCCOP(=O)(OCCCC)c1ccccc1CC

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4461987 0.90 HIF1A (0.42) CYP3A4HIF1AMEN1KMT2A
SCHEMBL4451490 0.90 HIF1A (0.42) CYP3A4HIF1A
SCHEMBL4462717 0.89 MEN1 (0.50) HIF1AMEN1KMT2A
SCHEMBL4452190 0.85 CYP3A4 (0.40) CYP3A4HIF1AMEN1KMT2A
SCHEMBL4448616 0.83 MEN1 (0.45) HIF1AMEN1KMT2A
SCHEMBL3881946 0.83 CYP3A4 (0.44) CYP3A4HIF1A
SCHEMBL4455340 0.82 MEN1 (0.54) MEN1KMT2A
SCHEMBL28588759 0.81 HIF1A (0.46) CYP3A4HIF1AMEN1KMT2A
SCHEMBL11374114 0.81 HSD17B10 (0.43) CYP3A4HIF1AMEN1KMT2A
SCHEMBL4458164 0.80 CYP3A4 (0.38) 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