SCHEMBL9331228

SCHEMBL9331228

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)Cc1c[nH]c2ccccc12)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.53
▸ GRPR P30550 2/20 0.50
▸ IL1RN P18510 11/20 0.49
▸ ERAP2 Q6P179 10/20 0.49
▸ ERAP1 Q9NZ08 4/20 0.49
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ MMP2 P08253 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP8 P22894 2/20 0.47

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
SCHEMBL9331072 0.94 REN (0.54) RENGRPRIL1RNERAP2ERAP1
SCHEMBL9879558 0.93 REN (0.51) RENGRPRIL1RNERAP2ERAP1
SCHEMBL9878964 0.93 REN (0.51) RENGRPRIL1RNERAP2ERAP1
SCHEMBL9331664 0.92 MMP2 (0.53) RENGRPRMMP2MMP9MMP8
SCHEMBL9331193 0.91 REN (0.55) RENGRPRERAP2ERAP1CTSB
SCHEMBL9334625 0.86 MMP2 (0.55) RENGRPRMMP2MMP9MMP8
SCHEMBL9879381 0.84 MMP2 (0.51) RENGRPRCTSBCTSKMMP2
SCHEMBL10005187 0.83 GRPR (0.53) GRPRIL1RNERAP2ERAP1CTSB
SCHEMBL11228026 0.82 TACR1 (0.56) RENCTSK
SCHEMBL11228028 0.82 TACR1 (0.56) RENCTSK

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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