SCHEMBL8020575

SCHEMBL8020575

CC(C)CCN(C(=O)CNC(=O)Nc1cccc(C(C)C(=O)O)c1)c1ccccc1OCC(=O)N(C)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.35
PTGS2 P35354 2/20 0.34
RORC P51449 5/20 0.34
MTOR P42345 1/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
PTGS1 P23219 1/20 0.33
OPRM1 P35372 1/20 0.33
C5 P01031 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8030661 0.95 MTOR (0.36) CASRPTGS2RORCMTORCXCR1
SCHEMBL8030433 0.94 PTGS2 (0.35) CASRPTGS2RORCMTORCXCR1
SCHEMBL8036248 0.93 KMT2A (0.37) CASRPTGS2RORCCXCR1CXCR2
SCHEMBL8020824 0.92 CASR (0.35) CASRRORC
SCHEMBL8020101 0.91 PTGS2 (0.36) CASRPTGS2RORCMTORPTGS1
SCHEMBL8030599 0.91 PTGS2 (0.36) CASRPTGS2RORCMTORPTGS1
SCHEMBL8030140 0.90 CASR (0.34) CASRMTORCXCR1CXCR2OPRM1
SCHEMBL8034072 0.90 BDKRB2 (0.40) CASRCXCR1CXCR2
SCHEMBL8030348 0.90 CASR (0.37) CASRPTGS2RORCMTORMEN1
SCHEMBL27489407 0.89 CASR (0.33) CASRMTORCXCR1CXCR2OPRM1

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed