SCHEMBL6939062

SCHEMBL6939062

CCOC(=O)C(Cc1ccc(OCCON=C(C)c2ccc(-c3ccccc3)cc2)cc1)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.44
PPARG P37231 13/20 0.44
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
PPARA Q07869 7/20 0.42
PPARD Q03181 5/20 0.42
KLKB1 P03952 1/20 0.40

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
SCHEMBL6939060 1.00 S1PR1 (0.44) S1PR1PPARGGAARAB9APPARA
SCHEMBL6939641 0.92 PPARG (0.45) PPARGPPARA
SCHEMBL6939639 0.92 PPARG (0.45) PPARGPPARA
SCHEMBL6933519 0.91 PPARG (0.53) S1PR1PPARGPPARAPPARD
SCHEMBL6933522 0.91 PPARG (0.53) S1PR1PPARGPPARAPPARD
SCHEMBL6938739 0.83 PPARG (0.47) S1PR1PPARGPPARAPPARD
SCHEMBL27512457 0.83 PPARG (0.45) PPARGGAAPPARA
SCHEMBL6936030 0.82 PPARG (0.49) PPARGPPARA
SCHEMBL6936027 0.82 PPARG (0.49) PPARGPPARA
SCHEMBL6716452 0.82 NPC1 (0.50) PPARGGAARAB9APPARAKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916651-B1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES SANKYO CO (JP) 2003-10-15 EP disclosed
US-6103907-A ALDOSE REDUCTASE INHIBITING ANTIDIABETIC AGENT SANKYO COMPANY, LIMITED (JP) 2000-08-15 US disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP disclosed