SCHEMBL9978236

SCHEMBL9978236

CC(=O)c1cnc(O[C@@H](C)C(F)(F)F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.48
PTGS2 P35354 3/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
CTSA P10619 2/20 0.41
TACR2 P21452 1/20 0.39
MAP4K4 O95819 2/20 0.39
RORC P51449 1/20 0.38
LYN P07948 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL410515 0.91 CNR1 (0.48) CNR1PTGS2S1PR1S1PR3S1PR5
SCHEMBL439869 0.91 CNR1 (0.48) CNR1PTGS2S1PR1S1PR3S1PR5
SCHEMBL412128 0.89 CNR1 (0.49) CNR1PTGS2S1PR1S1PR3S1PR5
SCHEMBL440364 0.89 CNR1 (0.49) CNR1PTGS2S1PR1S1PR3S1PR5
SCHEMBL412123 0.85 PTGS2 (0.45) CNR1PTGS2S1PR1S1PR3S1PR5
SCHEMBL460013 0.85 PTGS2 (0.45) CNR1PTGS2S1PR1S1PR3S1PR5
SCHEMBL9978231 0.81 CNR1 (0.61) CNR1PTGS2CTSATACR2
SCHEMBL2115645 0.81 MAP4K4 (0.43) CNR1PTGS2S1PR1S1PR3S1PR5
SCHEMBL410622 0.78 CNR1 (0.45) CNR1S1PR1S1PR3S1PR5CTSA
SCHEMBL441620 0.78 CNR1 (0.45) CNR1S1PR1S1PR3S1PR5CTSA

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
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed