SCHEMBL9331072

SCHEMBL9331072

COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.54
▸ GRPR P30550 2/20 0.50
▸ CTSB P07858 2/20 0.49
▸ CTSK P43235 2/20 0.49
▸ IL1RN P18510 10/20 0.49
▸ ERAP2 Q6P179 9/20 0.49
▸ ERAP1 Q9NZ08 3/20 0.49
▸ NMBR P28336 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48

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
SCHEMBL9331228 0.94 REN (0.53) RENGRPRCTSBCTSKIL1RN
SCHEMBL9334625 0.92 MMP2 (0.55) RENGRPRMMP2MMP9MMP8
SCHEMBL9331193 0.91 REN (0.55) RENGRPRCTSBCTSKERAP2
SCHEMBL9878964 0.90 REN (0.51) RENGRPRCTSBCTSKIL1RN
SCHEMBL9879558 0.90 REN (0.51) RENGRPRCTSBCTSKIL1RN
SCHEMBL9331664 0.86 MMP2 (0.53) RENGRPRMMP2MMP9MMP8
SCHEMBL10005187 0.86 GRPR (0.53) GRPRCTSBCTSKIL1RNERAP2
SCHEMBL11228028 0.85 TACR1 (0.56) RENCTSK
SCHEMBL11228026 0.85 TACR1 (0.56) RENCTSK
SCHEMBL9879381 0.82 MMP2 (0.51) RENGRPRCTSBCTSKMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315367-B1 Polypeptides ICI PLC (GB) 1994-04-06 — — EP disclosed
US-5068222-A Polypeptides for treatment of cancer IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-26 — — US disclosed
EP-0315367-A2 Polypeptides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-10 — — EP disclosed
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