SCHEMBL31018310

SCHEMBL31018310

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.50
▸ F2R P25116 2/20 0.50
▸ CXCR4 P61073 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ NMUR2 Q9GZQ4 1/20 0.47
▸ NMUR1 Q9HB89 1/20 0.47
▸ CTSB P07858 1/20 0.45
▸ NTSR2 O95665 3/20 0.44
▸ NTSR1 P30989 3/20 0.44
▸ SORT1 Q99523 2/20 0.44
▸ CALCR P30988 2/20 0.44

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
SCHEMBL31018315 0.97 NMUR2 (0.49) CAPN1F2RCXCR4MAPK8MAPK9
SCHEMBL31018319 0.97 CAPN1 (0.49) CAPN1F2RCXCR4MAPK8MAPK9
SCHEMBL31018311 0.91 CXCR4 (0.47) F2RCXCR4MAPK8MAPK9MAPK10
SCHEMBL31018335 0.91 CXCR4 (0.48) CXCR4MAPK8MAPK9MAPK10NMUR2
SCHEMBL31018333 0.89 CALCR (0.55) NMUR2NMUR1NTSR2NTSR1SORT1
SCHEMBL29649236 0.88 CALCR (0.55) CAPN1CXCR4MAPK8MAPK9MAPK10
SCHEMBL31473060 0.87 NTSR1 (0.53) F2RNMUR2NMUR1NTSR2NTSR1
SCHEMBL31018327 0.87 NTSR1 (0.56) NMUR2NMUR1NTSR2NTSR1SORT1
SCHEMBL31542148 0.85 NTSR2 (0.52) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL23639489 0.85 NTSR1 (0.53) CAPN1NTSR2NTSR1SORT1

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
CN-112891512-B Use of polypeptide compounds for preventing or treating liver fibrosis 清远市图微安创科技开发有限公司 2024-07-26 — — CN claimed
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