SCHEMBL11021141

SCHEMBL11021141

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

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.75
PPARD Q03181 2/20 0.75
PPARA Q07869 2/20 0.75
LMNA P02545 1/20 0.75
CYP1A2 P05177 1/20 0.75
MAPT P10636 1/20 0.75
CYP2C9 P11712 1/20 0.75
NFKB1 P19838 1/20 0.75
BLM P54132 1/20 0.75
GRM2 Q14416 4/20 0.69
CYSLTR2 Q9NS75 14/20 0.64
CYSLTR1 Q9Y271 14/20 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
SCHEMBL11026927 0.87 MAPT (0.57) PPARGPPARDPPARALMNACYP1A2
SCHEMBL2067483 0.86 PPARG (1.00) PPARGPPARDPPARALMNACYP1A2
SCHEMBL29369990 0.86 PPARG (1.00) PPARGPPARDPPARALMNACYP1A2
SCHEMBL6937972 0.85 PPARG (0.71) PPARGPPARDPPARALMNACYP1A2
SCHEMBL6934823 0.84 GRM2 (0.84) PPARGPPARDPPARALMNACYP1A2
SCHEMBL3894010 0.84 PPARG (0.80) PPARGPPARDPPARALMNACYP1A2
Propionic Acid SCHEMBL11043565 0.84 PPARG (0.79) PPARGPPARDPPARALMNACYP1A2
SCHEMBL10744397 0.84 GRM2 (0.95) PPARGPPARDPPARALMNACYP1A2
SCHEMBL10678284 0.83 PPARG (0.72) PPARGPPARDPPARALMNACYP1A2
SCHEMBL5638968 0.82 PPARG (0.77) 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 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