SCHEMBL22629941

SCHEMBL22629941

CCCCCc1ccc(-c2cc3ccc(SCC(COC(=O)C(C)(C)C(N)CC(C)(C)N)CC(F)(F)F)cc3o2)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
S1PR1 P21453 1/20 0.33
PTPN1 P18031 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL22628780 0.94
SCHEMBL22629042 0.88 ALOX5 (0.34) ALOX5S1PR1PTPN1PPARGPPARA
SCHEMBL22628784 0.87 ALOX5 (0.34) ALOX5S1PR1PTPN1PPARGPPARA
SCHEMBL22628898 0.86 ALOX5 (0.34) ALOX5S1PR1PTPN1PPARGPPARA
SCHEMBL21735274 0.85 ALOX5 (0.36) ALOX5S1PR1PTPN1PPARGPPARA
SCHEMBL21735285 0.85 ALOX5 (0.36) ALOX5S1PR1PTPN1PPARGPPARA
SCHEMBL22628764 0.85 ALOX5 (0.33) ALOX5S1PR1MAPTRXFP1
SCHEMBL22630071 0.84 S1PR1 (0.33) ALOX5S1PR1
SCHEMBL22630023 0.83 S1PR1 (0.30) S1PR1
SCHEMBL22629032 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed