SCHEMBL11443642

SCHEMBL11443642

C[C@@H](NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)N(C)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.47
▸ ACACB O00763 2/20 0.44
▸ MMP13 P45452 1/20 0.42
▸ ABCB1 P08183 1/20 0.39
▸ LTA4H P09960 3/20 0.39
▸ MME P08473 2/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ACE P12821 2/20 0.38
▸ ANPEP P15144 1/20 0.37
▸ ECE1 P42892 1/20 0.37

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
SCHEMBL10785304 0.86 MMP13 (0.43) RENACACBMMP13ABCB1AAK1
SCHEMBL19200684 0.81 REN (0.46) RENACACBMMP13AAK1
SCHEMBL10783349 0.79 ABCB1 (0.55) RENABCB1CTSLCTSKITGB3
SCHEMBL25178674 0.78 EPHX2 (0.44) ACACBMMP13ITGB3ITGA2BACE
SCHEMBL11116045 0.78 REN (0.47) RENCTSK
SCHEMBL11430578 0.78 REN (0.42) RENACACBMMP13
SCHEMBL22457492 0.77 REN (0.58) RENMMECTSLCTSKACE
SCHEMBL24435851 0.77 REN (0.58) RENMMECTSLCTSKACE
SCHEMBL6942693 0.77 LDHA (0.54) RENMMP13ITGB3ITGA2B
SCHEMBL3776724 0.77 LDHA (0.54) RENMMP13ITGB3ITGA2B

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-4199568-A Tetrapeptide amides RECKITT & COLMAN PRODUCTS LIMITED (GB) 1980-04-22 — — US disclosed
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