SCHEMBL31232415

SCHEMBL31232415

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.67
▸ MAPK8 P45983 1/20 0.63
▸ MAPK9 P45984 1/20 0.63
▸ MAPK10 P53779 1/20 0.63
▸ KDM1A O60341 3/20 0.59
▸ NMUR2 Q9GZQ4 4/20 0.55
▸ NMUR1 Q9HB89 4/20 0.55
▸ MAOB P27338 1/20 0.54
▸ KDM5A P29375 1/20 0.54
▸ KDM1B Q8NB78 1/20 0.54
▸ REN P00797 4/20 0.53
▸ EPHA2 P29317 1/20 0.53

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
SCHEMBL29607286 0.92 MAPK8 (0.66) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL29607908 0.88 MAPK8 (0.69) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL30726561 0.87 KEAP1 (0.68) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL31742423 0.86 MAPK8 (0.69) MAPK8MAPK9MAPK10REN
SCHEMBL31182661 0.86 F2 (0.65) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL29679520 0.85 MAPK8 (0.65) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL29607801 0.85 MAPK8 (0.72) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL30906548 0.85 KEAP1 (0.72) KEAP1MAPK8MAPK9MAPK10KDM1A
SCHEMBL31462013 0.84 MAPK8 (0.59) KEAP1MAPK8MAPK9MAPK10NMUR2
SCHEMBL29376375 0.84 KEAP1 (0.60) KEAP1MAPK8MAPK9MAPK10KDM1A

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-4642492-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE FUNCTIONAL SMALL MOLECULE COMPOUNDS FOR ENHANCED TREATMENT OF REFRACTORY DISEASES Hangzhou Seehe Biotechnology Co., Ltd (CN) 2025-11-05 — — EP claimed
WO-2024240173-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE FUNCTIONAL SMALL MOLECULE COMPOUNDS FOR ENHANCED TREATMENT OF REFRACTORY DISEASES HANGZHOU SEEHE BIOTECHNOLOGY CO., LTD (CN) 2024-11-28 — — WO claimed
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