SCHEMBL7694657

SCHEMBL7694657

CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)COC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
SPHK1 Q9NYA1 1/20 0.38
PPARA Q07869 3/20 0.36
PPARG P37231 1/20 0.36
BRD4 O60885 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
P2RX7 Q99572 5/20 0.35
ABHD6 Q9BV23 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
HSD11B2 P80365 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL6540875 0.89 PPARA (0.39) PPARAPPARGCXCR2
SCHEMBL6540867 0.89 PPARA (0.39) PPARAPPARGCXCR2
SCHEMBL6487557 0.85 SPHK1 (0.39) NR1H2NR1H3SPHK1PPARGBRD4
SCHEMBL6487562 0.85 SPHK1 (0.39) NR1H2NR1H3SPHK1PPARGBRD4
SCHEMBL2288435 0.85 SPHK1 (0.39) NR1H2NR1H3SPHK1PPARGBRD4
SCHEMBL2290598 0.83 SPHK1 (0.43) NR1H2NR1H3SPHK1BRD4GPR119
SCHEMBL2290590 0.83 SPHK1 (0.43) NR1H2NR1H3SPHK1BRD4GPR119
SCHEMBL19331727 0.82 SPHK1 (0.37) NR1H2NR1H3SPHK1BRD4CXCR2
SCHEMBL19331731 0.82 SPHK1 (0.37) NR1H2NR1H3SPHK1BRD4CXCR2
SCHEMBL2291830 0.82 SMN1; SMN2 (0.40) SPHK1BRD4HSD11B2

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed