SCHEMBL31049839

SCHEMBL31049839

CCCCCC[C@](N)(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](Cc1ccccc1C(F)(F)F)C(=O)O)[C@@H](C)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ XIAP P98170 4/20 0.37
▸ CAPN1 P07384 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ IL23R Q5VWK5 1/20 0.36
▸ NMUR2 Q9GZQ4 2/20 0.35
▸ NMUR1 Q9HB89 2/20 0.35
▸ AGTR2 P50052 4/20 0.35
▸ AGTR1 P30556 3/20 0.35
▸ KISS1R Q969F8 2/20 0.34
▸ ACE P12821 1/20 0.34

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
SCHEMBL31049830 0.91 NMUR2 (0.39) MAPK8MAPK9MAPK10SLC6A2CAPN1
SCHEMBL31049833 0.91 SLC6A2 (0.45) MAPK8MAPK9MAPK10SLC6A2NMUR2
SCHEMBL31049847 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10CAPN1CTSB
SCHEMBL30856561 0.89 MAPK8 (0.46) MAPK8MAPK9MAPK10SLC6A2IL23R
SCHEMBL31049843 0.88 MAPK8 (0.43) MAPK8MAPK9MAPK10SLC6A2XIAP
SCHEMBL31049846 0.88 GRB2 (0.39) MAPK8MAPK9MAPK10SLC6A2CAPN1
SCHEMBL31049832 0.83 OPRK1 (0.39) MAPK8MAPK9MAPK10CAPN1CTSB
SCHEMBL31049836 0.82 IL23R (0.43) MAPK8MAPK9MAPK10SLC6A2STAT3
SCHEMBL31049845 0.79 MAPK8 (0.45) MAPK8MAPK9MAPK10CAPN1CTSB
SCHEMBL31049844 0.78 MAPK8 (0.48) MAPK8MAPK9MAPK10CAPN1CTSB

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
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