SCHEMBL7591541

SCHEMBL7591541

C=CC(COCCCCC)OCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
LPAR1 Q92633 7/20 0.42
LPAR3 Q9UBY5 7/20 0.42
LPAR2 Q9HBW0 4/20 0.42
HTT P42858 1/20 0.42
PLA2G2C Q5R387 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
DNM1 Q05193 1/20 0.37
TLR2 O60603 1/20 0.37

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
SCHEMBL5510607 0.94 LPAR1 (0.37) USP2LPAR1LPAR3LPAR2HTT
SCHEMBL24207974 0.90 LPAR1 (0.48) LPAR1LPAR3
SCHEMBL1524214 0.88 TSHR (0.35) LPAR1LPAR3LPAR2DNM1
SCHEMBL8744161 0.82 HSD17B10 (0.41) USP2
SCHEMBL12276622 0.82 DNM1 (0.41) LPAR1LPAR3LPAR2DNM1
SCHEMBL11297008 0.81 USP2 (0.47) USP2LPAR1LPAR3LPAR2HTT
SCHEMBL5679142 0.80 DNM1 (0.44) USP2LPAR1LPAR3LPAR2DNM1
SCHEMBL14325106 0.80 DNM1 (0.44) USP2LPAR1LPAR3LPAR2DNM1
SCHEMBL1524212 0.80 USP2 (0.37) USP2LPAR1LPAR3LPAR2HTT
SCHEMBL11293584 0.79 LPAR1 (0.49) USP2LPAR1LPAR3LPAR2HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed
EP-0612720-B1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL CO (JP) 1997-01-08 EP disclosed
US-5463103-A Reacting butene derivative with hydrogen cyanide in presence of catalyst prepared from cuprous halide, lower alkylamine hydrohalide and Lewis acid or basic acetate, carbonate or bicarbonate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-31 US disclosed
EP-0612720-A1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-31 EP disclosed