SCHEMBL9728468

SCHEMBL9728468

CCCc1c(OC)ccc(C(=O)OC)c1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
CTSD P07339 1/20 0.47
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
BLM P54132 1/20 0.44
GRM2 Q14416 1/20 0.44
CYSLTR2 Q9NS75 7/20 0.43
CYSLTR1 Q9Y271 7/20 0.43

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
SCHEMBL10378288 0.86 PPARG (0.58) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9728623 0.86 MAPT (0.58) PPARGPPARDPPARALMNACYP1A2
SCHEMBL7041532 0.84 CA12 (0.46) PPARGPPARDPPARACTSDLMNA
SCHEMBL9579627 0.83 CTSD (0.50) PPARGPPARDPPARACTSDLMNA
SCHEMBL8321013 0.83 CTSD (0.41) PPARGPPARDPPARACTSDLMNA
SCHEMBL3909320 0.83 CTSD (0.41) PPARGPPARDPPARACTSDLMNA
SCHEMBL9042867 0.82 PPARG (0.56) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9579713 0.82 PPARG (0.50) PPARGPPARDPPARACTSDLMNA
SCHEMBL6933049 0.81 CTSD (0.58) PPARGPPARDPPARACTSDLMNA
SCHEMBL10445383 0.80 ALDH1A1 (0.45) 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
US-5155106-A Reduced side effects TERUMO KABUSHIKI KAISHA (JP) 1992-10-13 US disclosed
EP-0400144-A1 CYSTEAMINE DERIVATIVES AND ANTI-RHEUMATIC AGENT CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-12-05 EP disclosed