SCHEMBL22628784

SCHEMBL22628784

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
S1PR1 P21453 1/20 0.33
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
NAMPT P43490 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL22628725 0.94
SCHEMBL22628724 0.92
SCHEMBL22629042 0.91 ALOX5 (0.34) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL22628898 0.91 ALOX5 (0.34) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL22628764 0.90 ALOX5 (0.33) ALOX5S1PR1MAPTRXFP1
SCHEMBL22629941 0.87 ALOX5 (0.33) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL22629032 0.85
SCHEMBL22630071 0.85 S1PR1 (0.33) ALOX5S1PR1
SCHEMBL21735040 0.84 ALOX5 (0.37) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL21735044 0.84 ALOX5 (0.37) ALOX5S1PR1MAPTRXFP1PPARG

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