SCHEMBL4460807

SCHEMBL4460807

CCCCOP(=O)(CCC=O)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
TSHR P16473 3/20 0.44
LPAR3 Q9UBY5 5/20 0.42
LPAR1 Q92633 3/20 0.41
LPAR2 Q9HBW0 3/20 0.41
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
AOX1 Q06278 1/20 0.38

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
SCHEMBL10832782 0.83 CYP3A4 (0.64) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL3623029 0.82 CYP3A4 (0.48) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL2173161 0.81 CYP3A4 (0.47) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL575182 0.81 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL4451507 0.81 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL11421377 0.81 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL11514808 0.81 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL4451720 0.80 TSHR (0.44) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL4462566 0.79 CYP3A4 (0.54) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL2382808 0.79 PPARD (0.54) TSHRAOX1

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