SCHEMBL9561831

SCHEMBL9561831

C=C(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.74
MMP8 P22894 10/20 0.74
MMP14 P50281 4/20 0.74
GPR139 Q6DWJ6 1/20 0.56
PSMB1 P20618 2/20 0.55
PSMB5 P28074 2/20 0.55
PSMB2 P49721 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
MMP2 P08253 2/20 0.51
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL6215459 0.83 MMP9 (0.57) MMP9MMP8MMP14MMP2CTSS
SCHEMBL2258793 0.82 TGFBR1 (0.57) MMP9MMP8MMP14
SCHEMBL346221 0.82 TGFBR1 (0.57) MMP9MMP8MMP14
SCHEMBL1629333 0.81 KDM4E (0.55) MMP9MMP8MEN1KMT2AMAPT
SCHEMBL8988836 0.81 KDM4E (0.55) MMP9MMP8MEN1KMT2AMAPT
SCHEMBL4953516 0.81 KDM4E (0.55) MMP9MMP8MEN1KMT2AMAPT
SCHEMBL14264742 0.81 MMP9 (0.70) MMP9MMP8MMP14GPR139PSMB1
SCHEMBL8980443 0.81 MMP9 (0.51) MMP9MMP8MMP14MEN1KMT2A
SCHEMBL14264746 0.80 MMP9 (0.68) MMP9MMP8MMP14GPR139PSMB1
SCHEMBL8374049 0.79 FCER2 (0.50) MMP9MMP8MMP14

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
US-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed