SCHEMBL31323240

SCHEMBL31323240

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.59
▸ NMUR2 Q9GZQ4 9/20 0.55
▸ NMUR1 Q9HB89 8/20 0.55
▸ OPRM1 P35372 4/20 0.53
▸ OPRD1 P41143 4/20 0.53
▸ KEAP1 Q14145 1/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ IL23R Q5VWK5 1/20 0.49

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
SCHEMBL29276555 0.92 EPHA2 (0.57) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30440169 0.92 EPHA2 (0.60) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29073057 0.91 EPHA2 (0.56) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29073061 0.91 EPHA2 (0.56) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29073046 0.90 EPHA2 (0.57) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30186407 0.89 EPHA2 (0.58) EPHA2NMUR2NMUR1
SCHEMBL29865208 0.88 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29865371 0.88 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29864890 0.88 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29864827 0.88 OPRM1 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119280104-A Tightening anti-wrinkle gel composition with barrier repairing effect and preparation method thereof 中科润航健康科技有限公司 2025-01-10 — — CN claimed
CN-119280104-A Tightening anti-wrinkle gel composition with barrier repairing effect and preparation method thereof 中科润航健康科技有限公司 2025-01-10 — — CN disclosed
Send feedback