SCHEMBL17199891

SCHEMBL17199891

O=C(O)c1cccc(OCc2ccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 1/20 0.47
NR4A2 P43354 2/20 0.46
TRPA1 O75762 1/20 0.44
PTGER4 P35408 2/20 0.44
FKBP1A P62942 2/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL17136567 0.92 MMP8 (0.46) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136453 0.91 MMP8 (0.50) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136377 0.91 MMP8 (0.56) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17199890 0.90 MMP8 (0.53) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136446 0.90 MMP8 (0.48) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17199916 0.90 MEN1 (0.51) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136455 0.90 MMP8 (0.48) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17199924 0.89 MMP8 (0.49) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136573 0.88 HCRTR1 (0.56) MMP8MMP12MMP13ALDH1A1TRPA1
SCHEMBL17136492 0.88 TRPA1 (0.53) MMP8MMP12MMP13ALDH1A1TRPA1

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-2937335-A1 HETEROCYCLIC AMIDE DERIVATIVE, AND MEDICINE CONTAINING SAME Ajinomoto Co., Inc. (JP) 2015-10-28 EP disclosed