SCHEMBL7398288

SCHEMBL7398288

CC(C)C(NP(=O)(O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.61
MMP9 P14780 15/20 0.61
MMP14 P50281 14/20 0.61
MMP8 P22894 14/20 0.61
MMP7 P09237 2/20 0.61
ANPEP P15144 1/20 0.59
ERAP1 Q9NZ08 1/20 0.59
MMP11 P24347 2/20 0.58
MME P08473 2/20 0.56
ECE1 P42892 2/20 0.56
NMBR P28336 1/20 0.55
MMP13 P45452 1/20 0.54

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
SCHEMBL7393708 0.89 NMBR (0.57) MMP2MMP9MMP14MMP8MMP7
SCHEMBL7393705 0.88 MMP2 (0.56) MMP2MMP9MMP14MMP8MMP7
SCHEMBL7391501 0.82 MME (0.62) MMP2MMP9MMP14MMP8MMP7
SCHEMBL9068979 0.81 MME (0.60) MMP2MMP9MMP14MMP8MMP7
SCHEMBL12203727 0.80 NMBR (0.70) MMP2MMP9MMP14MMP8MME
SCHEMBL6841178 0.80 NMBR (0.70) MMP2MMP9MMP14MMP8MME
SCHEMBL1711383 0.79 NMBR (0.73) MMP2MMP9MMP14MMP8MMP7
SCHEMBL29472048 0.79 NMBR (0.73) MMP2MMP9MMP14MMP8MMP7
SCHEMBL5381814 0.79 NMBR (0.73) MMP2MMP9MMP14MMP8MMP7
SCHEMBL14027422 0.76 NMBR (0.66) MMP2MMP9MMP14MMP8MMP7

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-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO claimed