SCHEMBL10958247

SCHEMBL10958247

CCCc1c(OCc2ccc(/C=C/C(=O)O)cc2OC)ccc(C(C)=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ RECQL P46063 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CYSLTR2 Q9NS75 10/20 0.48
▸ CYSLTR1 Q9Y271 10/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ SNCA P37840 1/20 0.46

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
SCHEMBL10958256 1.00 KDM4E (0.52) KDM4ERECQLALDH1A1HPGDALOX15
SCHEMBL10954549 0.93 RECQL (0.58) KDM4ERECQLALDH1A1HPGDALOX15
SCHEMBL10954555 0.93 RECQL (0.58) KDM4ERECQLALDH1A1HPGDALOX15
SCHEMBL10956460 0.91 FDPS (0.50) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10956451 0.91 FDPS (0.50) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL5035745 0.88 KDM4E (0.65) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL5035751 0.88 KDM4E (0.65) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL10955363 0.85 FDPS (0.48) RECQLCYSLTR2CYSLTR1LMNACYP1A2
SCHEMBL10955362 0.85 FDPS (0.48) RECQLCYSLTR2CYSLTR1LMNACYP1A2
SCHEMBL11041707 0.84 PPARG (0.62) CYSLTR2CYSLTR1LMNACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083228-B1 PHARMACEUTICALLY ACTIVE PHENYLCARBOXYLIC ACID DERIVATIVES ICI AMERICAS INC. (US) 1985-05-15 — — EP claimed
EP-0083228-A1 Pharmaceutically active phenylcarboxylic acid derivatives ICI AMERICAS INC. (US) 1983-07-06 — — EP claimed
EP-0083228-B1 PHARMACEUTICALLY ACTIVE PHENYLCARBOXYLIC ACID DERIVATIVES ICI AMERICAS INC. (US) 1985-05-15 — — EP disclosed
US-4499299-A Pharmaceutically active phenylcarboxylic acid derivatives ICI AMERICAS INC. (US) 1985-02-12 — — US disclosed
EP-0083228-A1 Pharmaceutically active phenylcarboxylic acid derivatives ICI AMERICAS INC. (US) 1983-07-06 — — EP disclosed
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