SCHEMBL10691225

SCHEMBL10691225

CCCCc1ccc(C(O)CCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.57
S1PR2 O95136 3/20 0.57
S1PR3 Q99500 3/20 0.57
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
CYSLTR2 Q9NS75 2/20 0.55
CYSLTR1 Q9Y271 2/20 0.55
RARB P10826 1/20 0.47
PTGER2 P43116 1/20 0.46
LTB4R Q15722 1/20 0.46
FAAH O00519 1/20 0.44

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
SCHEMBL9453929 0.87 CYSLTR2 (0.61) S1PR1S1PR2S1PR3ALDH1A1CYSLTR2
SCHEMBL14544331 0.83 ALDH1A1 (0.46) S1PR1S1PR2S1PR3ALDH1A1CYSLTR2
SCHEMBL18910999 0.83 CA2 (0.48) S1PR1S1PR2S1PR3ALDH1A1HSD17B10
SCHEMBL11838225 0.83 ALDH1A1 (0.58) S1PR1S1PR2S1PR3ALDH1A1HSD17B10
SCHEMBL10482320 0.79 HSD17B10 (0.71) S1PR1S1PR2S1PR3ALDH1A1HSD17B10
SCHEMBL1206307 0.79 ALDH1A1 (0.71) S1PR1S1PR2S1PR3ALDH1A1HSD17B10
SCHEMBL11828490 0.79 CYSLTR2 (0.63) S1PR1S1PR2S1PR3ALDH1A1HSD17B10
SCHEMBL27747821 0.79 ALDH1A1 (0.51) S1PR1S1PR2S1PR3ALDH1A1HSD17B10
SCHEMBL8897008 0.79 PTGER2 (0.50) S1PR1S1PR2S1PR3ALDH1A1HSD17B10
SCHEMBL30949014 0.78 ESR1 (0.58) S1PR1S1PR2S1PR3ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251466-A2 Chemical process for the preparation of esters of substituted cyclopropyl caboxylic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-07 EP disclosed