SCHEMBL8772008

SCHEMBL8772008

CC(C)[C@H](N)C(=O)N(C(=O)OC(C)(C)C)C(C)COc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.40
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
CA12 O43570 5/20 0.38
ADRB3 P13945 1/20 0.36
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CPB2 Q96IY4 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8771998 0.84 GAA (0.44) MAOB
SCHEMBL8771782 0.84 ADRB3 (0.31) CA1CA2CA9CA12ADRB3
SCHEMBL8771956 0.83 GHSR (0.33) GPR119ADRB3MAOB
SCHEMBL8772017 0.83 MMP2 (0.46) GPR119ADRB3MAOB
SCHEMBL8772011 0.80 MTNR1A (0.33)
SCHEMBL8771913 0.77 MMP2 (0.46) MAOB
SCHEMBL8771907 0.76 TSHR (0.37)
SCHEMBL8772004 0.75 MMP2 (0.45) MAOB
SCHEMBL8772001 0.75 TSHR (0.32)
SCHEMBL8771761 0.74 MMP2 (0.44) GPR119MAOB

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed