SCHEMBL7120973

SCHEMBL7120973

CC(C)CC(C(N)=O)C(CSc1cccs1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.60
FCER2 P06734 6/20 0.60
MMP2 P08253 3/20 0.53
MMP3 P08254 2/20 0.53
MMP7 P09237 2/20 0.53
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
MMP13 P45452 2/20 0.53
MMP14 P50281 2/20 0.53
ADAM17 P78536 2/20 0.53
HSPA5 P11021 1/20 0.38
HSPA2 P54652 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGFR P43088 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
SCHEMBL23258231 0.82 MMP1 (0.86) MMP1FCER2MMP2MMP3MMP7
SCHEMBL20393464 0.81 MMP1 (0.48) MMP1FCER2MMP2MMP3MMP7
SCHEMBL15813401 0.77 MMP1 (0.61) MMP1FCER2MMP2MMP3MMP7
SCHEMBL3498528 0.77 MMP1 (0.61) MMP1FCER2MMP2MMP3MMP7
SCHEMBL7120970 0.72 MMP1 (0.45) MMP1FCER2MMP2MMP3MMP7
SCHEMBL7247505 0.72 MAOA (0.50) MMP1FCER2MMP2MMP3MMP7
SCHEMBL24022309 0.72 FBP1 (0.45) MMP1FCER2MMP2MMP3MMP7
SCHEMBL7424185 0.71 MMP1 (0.42) MMP1FCER2MMP2MMP3MMP7
SCHEMBL7617896 0.71 MMP1 (0.42) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL4333 0.71 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357955-A1 DRUG DELIVERY FROM STENTS Biocompatibles UK Limited (GB) 2003-11-05 EP disclosed
WO-2002055121-A1 DRUG DELIVERY FROM STENTS BIOCOMPATIBLES UK LIMITED (GB) 2002-07-18 WO disclosed