SCHEMBL9740857

SCHEMBL9740857

CC(C)C[C@H](NC(=O)[C@@H](CC(=O)NCc1cccnc1)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.55
MMP9 P14780 13/20 0.55
MMP8 P22894 13/20 0.55
REN P00797 7/20 0.47
ADAM10 O14672 1/20 0.42
ADAM12 O43184 1/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
MMP15 P51511 1/20 0.42
MMP16 P51512 1/20 0.42
ADAM17 P78536 1/20 0.42
ADAM9 Q13443 1/20 0.42
MMP26 Q9NRE1 1/20 0.42
MMP17 Q9ULZ9 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42

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
SCHEMBL9740864 1.00 MMP2 (0.55) MMP2MMP9MMP8RENADAM10
SCHEMBL9741102 0.77 MMP2 (0.57) MMP2MMP9MMP8RENMMP1
SCHEMBL9739604 0.76 MMP2 (0.51) MMP2MMP9MMP8REN
SCHEMBL9739605 0.76 MMP2 (0.51) MMP2MMP9MMP8REN
SCHEMBL9740882 0.75 MMP2 (0.54) MMP2MMP9MMP8REN
SCHEMBL9740887 0.75 MMP2 (0.54) MMP2MMP9MMP8REN
SCHEMBL7269499 0.73 REN (0.57) REN
SCHEMBL7269492 0.73 REN (0.57) REN
SCHEMBL9740414 0.71 REN (0.56) REN
SCHEMBL9739660 0.71 REN (0.51) REN

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-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US claimed