SCHEMBL7895260

SCHEMBL7895260

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN1C(=O)c2ccccc2C1=O)SC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.56
MMP2 P08253 11/20 0.53
MMP9 P14780 8/20 0.53
MMP8 P22894 7/20 0.53
MMP3 P08254 2/20 0.51
MMP14 P50281 2/20 0.51
ADAM10 O14672 1/20 0.51
ADAM12 O43184 1/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP7 P09237 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
MMP15 P51511 1/20 0.51
MMP16 P51512 1/20 0.51
ADAM17 P78536 1/20 0.51
ADAM9 Q13443 1/20 0.51
MMP26 Q9NRE1 1/20 0.51
MMP17 Q9ULZ9 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51

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
SCHEMBL7894297 1.00 MMP1 (0.56) MMP1MMP2MMP9MMP8MMP3
SCHEMBL6412675 1.00 MMP1 (0.56) MMP1MMP2MMP9MMP8MMP3
SCHEMBL6413187 0.89 ECE1 (0.56) MMP1MMP2MMP9MMP8MMP3
SCHEMBL7383963 0.89 ECE1 (0.56) MMP1MMP2MMP9MMP8MMP3
SCHEMBL7432650 0.89 ECE1 (0.56) MMP1MMP2MMP9MMP8MMP3
SCHEMBL6947006 0.87 MAPT (0.48) MMP1MMP2MMP9MMP8
SCHEMBL8387026 0.85 MMP1 (0.59) MMP1MMP2MMP9MMP8MMP3
SCHEMBL6413515 0.85 MMP1 (0.59) MMP1MMP2MMP9MMP8MMP3
SCHEMBL7894400 0.85 MMP1 (0.59) MMP1MMP2MMP9MMP8MMP3
SCHEMBL7887257 0.84 MMP1 (0.66) MMP1MMP2MMP9MMP8MMP3

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
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP disclosed