SCHEMBL11024302

SCHEMBL11024302

CCCc1c(SCCCOc2ccc(C=CC(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.51
▸ PPARD Q03181 5/20 0.51
▸ PPARA Q07869 5/20 0.51
▸ GRM2 Q14416 4/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ CYSLTR2 Q9NS75 10/20 0.46
▸ CYSLTR1 Q9Y271 10/20 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
SCHEMBL11025084 1.00 PPARG (0.51) PPARGPPARDPPARAGRM2LMNA
SCHEMBL11043538 0.84 PPARG (0.72) PPARGPPARDPPARAGRM2LMNA
SCHEMBL11043542 0.84 PPARG (0.72) PPARGPPARDPPARAGRM2LMNA
SCHEMBL5032476 0.84 GRM2 (0.72) PPARGPPARDPPARAGRM2LMNA
SCHEMBL5032472 0.84 GRM2 (0.72) PPARGPPARDPPARAGRM2LMNA
SCHEMBL11038772 0.82 PPARG (0.59) PPARGPPARDPPARAGRM2LMNA
SCHEMBL10678757 0.82 GRM2 (0.52) PPARGPPARDPPARAGRM2LMNA
SCHEMBL10957649 0.79 GRM2 (0.59) PPARGPPARDPPARAGRM2LMNA
SCHEMBL11022202 0.77 POLB (0.46) PPARGPPARDPPARAGRM2LMNA
SCHEMBL11020870 0.77 POLB (0.46) PPARGPPARDPPARAGRM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0056172-B1 PHENOXY- AND THIOPHENOXY COMPOUNDS, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM FISONS plc (GB) 1985-04-03 — — EP claimed
EP-0056172-A2 Phenoxy- and thiophenoxy compounds, methods for their preparation and pharmaceutical formulations containing them FISONS plc (GB) 1982-07-21 — — EP claimed
EP-0056172-B1 PHENOXY- AND THIOPHENOXY COMPOUNDS, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM FISONS plc (GB) 1985-04-03 — — EP disclosed
EP-0056172-A2 Phenoxy- and thiophenoxy compounds, methods for their preparation and pharmaceutical formulations containing them FISONS plc (GB) 1982-07-21 — — EP disclosed
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