SCHEMBL30512590

SCHEMBL30512590

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.55
▸ CALCRL Q16602 4/20 0.50
▸ F11 P03951 1/20 0.50
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ KDM1A O60341 2/20 0.49
▸ C5AR1 P21730 1/20 0.49
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ NMUR1 Q9HB89 1/20 0.48
▸ BDKRB2 P30411 1/20 0.48
▸ OPRM1 P35372 2/20 0.48
▸ OPRK1 P41145 2/20 0.48
▸ APLNR P35414 1/20 0.47
▸ IL23R Q5VWK5 1/20 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
SCHEMBL31280950 0.87 MAPK8 (0.53) EPHA2CALCRLF11MAPK8MAPK9
SCHEMBL30567785 0.86 GLP1R (0.57) KDM1AAPLNR
SCHEMBL31282086 0.84 SLC6A2 (0.58) EPHA2CALCRLMAPK8MAPK9MAPK10
SCHEMBL30804662 0.84 MAPK8 (0.56) EPHA2MAPK8MAPK9MAPK10NMUR2
SCHEMBL31410846 0.84 EPHA2 (0.58) EPHA2KDM1AC5AR1OPRM1
SCHEMBL31034420 0.84 NPY2R (0.55) KDM1AC5AR1APLNRIL23R
SCHEMBL31281064 0.83 MAPK8 (0.56) EPHA2CALCRLMAPK8MAPK9MAPK10
SCHEMBL31307255 0.83 EPHA2 (0.58) EPHA2C5AR1NMUR2NMUR1
SCHEMBL29531483 0.83 EPHA2 (0.51) EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31572089 0.83 EPHA2 (0.61) EPHA2CALCRLMAPK8MAPK9MAPK10

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-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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