SCHEMBL30676224

SCHEMBL30676224

CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.59
▸ KISS1R Q969F8 18/20 0.56
▸ MMP1 P03956 1/20 0.55

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
SCHEMBL30586709 0.93 ERAP2 (0.63) ERAP2KISS1RMMP1
SCHEMBL30544320 0.91 ERAP2 (0.61) ERAP2KISS1RMMP1
SCHEMBL31267924 0.91 ERAP2 (0.65) ERAP2KISS1RMMP1
SCHEMBL31232571 0.90 KISS1R (0.59) ERAP2KISS1R
SCHEMBL31735183 0.90 ERAP2 (0.55) ERAP2MMP1
SCHEMBL30469505 0.89 ERAP2 (0.58) ERAP2KISS1RMMP1
SCHEMBL30885616 0.89 ERAP2 (0.55) ERAP2KISS1RMMP1
SCHEMBL30680488 0.89 ERAP2 (0.57) ERAP2KISS1RMMP1
SCHEMBL29816038 0.89 ERAP2 (0.58) ERAP2KISS1RMMP1
SCHEMBL30632098 0.89 ACE (0.53) ERAP2

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-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
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