SCHEMBL10554266

SCHEMBL10554266

CCCc1c(OCCCOc2cccc(NC(=O)C(=O)O)c2C)ccc(C(C)=O)c1O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 14/20 0.58
▸ CYSLTR1 Q9Y271 14/20 0.58
▸ PPARG P37231 2/20 0.57
▸ PPARD Q03181 2/20 0.57
▸ PPARA Q07869 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ GRM2 Q14416 1/20 0.54
▸ PDE5A O76074 1/20 0.50

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
SCHEMBL10556149 0.91 PPARG (0.56) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10549727 0.91 PPARG (0.60) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9867989 0.89 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10553857 0.87 CYSLTR2 (0.55) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10552510 0.84 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10549070 0.83 CYSLTR2 (0.71) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10553619 0.83 PPARG (0.60) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10549568 0.83 PPARG (0.63) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10554105 0.83 PPARG (0.63) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10556390 0.82 CYSLTR2 (0.60) CYSLTR2CYSLTR1PPARGPPARDPPARA

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-0165897-B1 RESORCIN ETHERS CIBA-GEIGY AG (CH) 1989-03-15 — — EP claimed
US-4863942-A Novel resorcinol ethers and anti-inflammatory and anti-allergic use thereof CIBA-GEIGY CORPORATION (US) 1989-09-05 — — US disclosed
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