SCHEMBL31323239

SCHEMBL31323239

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 3/20 0.56
▸ KEAP1 Q14145 7/20 0.55
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ RAMP1 O60894 1/20 0.54
▸ NMUR2 Q9GZQ4 2/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52
▸ F2 P00734 2/20 0.52
▸ SLC6A2 P23975 1/20 0.51
▸ PSMB9 P28065 1/20 0.51

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
Thymoctonan SCHEMBL1230532 0.93 REN (0.52) CALCRLKEAP1OPRM1OPRD1RAMP1
Thymoctonan SCHEMBL15532000 0.93 REN (0.52) CALCRLKEAP1OPRM1OPRD1RAMP1
SCHEMBL30259604 0.90 REN (0.53) CALCRLOPRM1OPRD1RAMP1F2
SCHEMBL30443993 0.88 PSMB9 (0.54) CALCRLKEAP1OPRM1OPRD1RAMP1
SCHEMBL29368042 0.87 OPRM1 (0.56) CALCRLOPRM1OPRD1SLC6A2PSMB9
SCHEMBL28915423 0.86 NMUR2 (0.58) OPRM1OPRD1NMUR2NMUR1SLC6A2
SCHEMBL28915426 0.86 NMUR2 (0.58) OPRM1OPRD1NMUR2NMUR1SLC6A2
SCHEMBL29531913 0.86 OPRM1 (0.56) OPRM1OPRD1NMUR2NMUR1F2
SCHEMBL2195454 0.86 OPRD1 (0.55) OPRD1F2PSMB9
SCHEMBL17456231 0.86 REN (0.51) CALCRLKEAP1OPRM1OPRD1RAMP1

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-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
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