SCHEMBL9388989

SCHEMBL9388989

CNC(=O)[C@H](Cc1ccccc1)NOC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.53
FCER2 P06734 2/20 0.53
MMP9 P14780 6/20 0.51
MMP8 P22894 4/20 0.51
MMP3 P08254 5/20 0.51
MMP2 P08253 6/20 0.50
FPR2 P25090 1/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MMP7 P09237 2/20 0.49

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
SCHEMBL599323 0.85 FPR2 (0.57) MMP9MMP2FPR2ALDH1A1THRB
SCHEMBL599322 0.85 FPR2 (0.57) MMP9MMP2FPR2ALDH1A1THRB
SCHEMBL27709327 0.83 ATM (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10296148 0.83 ATM (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL4428861 0.83 MMP1 (0.58) MMP1FCER2MMP9MMP8MMP3
SCHEMBL4428864 0.83 MMP1 (0.58) MMP1FCER2MMP9MMP8MMP3
SCHEMBL7439020 0.83 MMP1 (0.58) MMP1FCER2MMP9MMP8MMP3
SCHEMBL7439018 0.83 MMP1 (0.58) MMP1FCER2MMP9MMP8MMP3
SCHEMBL6846291 0.83 MMP1 (0.58) MMP1FCER2MMP9MMP8MMP3
SCHEMBL19795766 0.83 MMP1 (0.59) MMP1FCER2MMP9MMP8MMP3

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-1994007527-A2 VASOACTIVE PEPTIDE INHIBITION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-04-14 WO disclosed