SCHEMBL31049845

SCHEMBL31049845

CCCCCCN[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O)[C@@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ IL23R Q5VWK5 1/20 0.43
▸ NMUR2 Q9GZQ4 6/20 0.42
▸ NMUR1 Q9HB89 6/20 0.42
▸ CCKBR P32239 3/20 0.42
▸ CAPN1 P07384 2/20 0.42
▸ CTSB P07858 2/20 0.42
▸ OPRD1 P41143 5/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ F13A1 P00488 1/20 0.41
▸ TGM2 P21980 1/20 0.41

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
SCHEMBL31049844 0.93 MAPK8 (0.48) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL29506913 0.92 MAPK8 (0.50) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL31049843 0.91 MAPK8 (0.43) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL29506914 0.90 MAPK8 (0.51) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL29506912 0.89 MAPK8 (0.52) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL31049847 0.87 MAPK8 (0.41) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL31049830 0.87 NMUR2 (0.39) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL29601373 0.87 MAPK8 (0.52) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL31049835 0.86 MAPK8 (0.48) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL29634954 0.85 CALCRL (0.51) MAPK8MAPK9MAPK10IL23RNMUR2

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
EP-4653451-A1 POLYPEPTIDE COMPOUND AND USE THEREOF Chengdu New Radiomedicine Technology Co., Ltd. (CN) 2025-11-26 — — EP disclosed
WO-2024165072-A1 POLYPEPTIDE COMPOUND AND USE THEREOF 成都纽瑞特医疗科技股份有限公司 2024-08-15 — — WO disclosed
Send feedback