SCHEMBL9008064

SCHEMBL9008064

CCCCC(Cc1ccc(OC)c(OC)c1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
PPARG P37231 4/20 0.50
PTGES O14684 1/20 0.50
ALOX5 P09917 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 1/20 0.47
PPARA Q07869 2/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PPARD Q03181 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL6778533 0.88 LMNA (0.55) LDHALMNASMN1; SMN2PPARACA12
SCHEMBL6779971 0.84 LMNA (0.56) LDHALMNASMN1; SMN2CA12CA1
SCHEMBL27995628 0.84 KCNH2 (0.44) PPARGPTGESALOX5LMNASMN1; SMN2
SCHEMBL29549313 0.83 LDHA (0.55) LDHAPPARGPTGESALOX5EPHX2
SCHEMBL7755352 0.83 PPARG (0.69) PPARGPTGESALOX5SIGMAR1
SCHEMBL30568773 0.82 LDHA (0.54) LDHAPPARGPTGESALOX5EPHX2
SCHEMBL29549524 0.82 LDHA (0.54) LDHAPPARGPTGESALOX5EPHX2
SCHEMBL491026 0.80 LDHA (0.71) LDHALMNASMN1; SMN2CA12CA1
SCHEMBL27728357 0.80 LDHA (0.51) LDHAEPHX2PPARAPPARD
SCHEMBL22345343 0.79 LDHA (0.69) LDHAPPARGPTGESALOX5LMNA

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
US-5491152-A Derivatives of cyclic ethers and sulfides for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed