SCHEMBL30625968

SCHEMBL30625968

CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ CALCRL Q16602 5/20 0.53
▸ RAMP1 O60894 1/20 0.53
▸ KEAP1 Q14145 2/20 0.51
▸ IL23R Q5VWK5 1/20 0.50
▸ APLNR P35414 1/20 0.48
▸ CXCR4 P61073 1/20 0.47
▸ NMUR2 Q9GZQ4 2/20 0.46
▸ NMUR1 Q9HB89 2/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ AGTR2 P50052 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46

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
SCHEMBL30625967 0.94 CALCRL (0.55) MAPK8MAPK9MAPK10CALCRLRAMP1
SCHEMBL31232570 0.86 MAPK8 (0.59) MAPK8MAPK9MAPK10CALCRLRAMP1
SCHEMBL30678863 0.84 NMUR2 (0.56) NMUR2NMUR1SLC6A2
SCHEMBL30498506 0.83 EPHA2 (0.58) CALCRLAPLNRNMUR2NMUR1SLC6A2
SCHEMBL31000920 0.82 CXCR4 (0.65) MAPK8MAPK9MAPK10KEAP1IL23R
SCHEMBL30883997 0.82 OPRM1 (0.54) NMUR2NMUR1
SCHEMBL31433344 0.82 MAPK8 (0.62) MAPK8MAPK9MAPK10APLNRNMUR2
SCHEMBL30974066 0.81 NMUR2 (0.60) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL30358199 0.81 MAPK8 (0.58) MAPK8MAPK9MAPK10CALCRLIL23R
SCHEMBL31154639 0.81 OPRD1 (0.58) MAPK8MAPK9MAPK10APLNRCXCR4

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-113929745-B Polypeptide for treating rhinitis and liquid composition containing polypeptide 广煜医药科技(宁夏)有限公司 2023-08-18 — — CN claimed
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