SCHEMBL11043542

SCHEMBL11043542

CCCc1c(OCCCOc2ccc(C=CC(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.72
▸ PPARD Q03181 3/20 0.72
▸ PPARA Q07869 3/20 0.72
▸ LMNA P02545 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ MAPT P10636 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ BLM P54132 1/20 0.72
▸ GRM2 Q14416 4/20 0.69
▸ CYSLTR2 Q9NS75 13/20 0.64
▸ CYSLTR1 Q9Y271 13/20 0.64

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
SCHEMBL11043538 1.00 PPARG (0.72) PPARGPPARDPPARALMNACYP1A2
SCHEMBL5032476 0.98 GRM2 (0.72) PPARGPPARDPPARALMNACYP1A2
SCHEMBL5032472 0.98 GRM2 (0.72) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11041707 0.92 PPARG (0.62) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11041702 0.92 PPARG (0.62) PPARGPPARDPPARALMNACYP1A2
SCHEMBL25203622 0.89 GRM2 (0.66) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11047150 0.88 CYSLTR2 (0.71) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11047154 0.88 CYSLTR2 (0.71) PPARGPPARDPPARALMNACYP1A2
SCHEMBL25200569 0.87 GRM2 (0.68) PPARGPPARDPPARALMNACYP1A2
SCHEMBL10807112 0.87 CYSLTR2 (0.58) PPARGPPARDPPARALMNACYP1A2

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
EP-0028063-B1 PHENOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-06-13 — — EP disclosed
EP-0028063-A1 Phenol derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1981-05-06 — — EP disclosed
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