SCHEMBL31475694

SCHEMBL31475694

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.46
▸ KDM1A O60341 3/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ MAOB P27338 1/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ KDM1B Q8NB78 1/20 0.42
▸ GRPR P30550 1/20 0.41
▸ BACE1 P56817 3/20 0.41
▸ CTSD P07339 2/20 0.41
▸ TFPI P10646 1/20 0.40
▸ EPHA2 P29317 1/20 0.39
▸ BECN1 Q14457 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RAMP3 O60896 1/20 0.37
▸ CALCR P30988 1/20 0.37

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
SCHEMBL30601031 0.91 CALCRL (0.50) CALCRLKDM1AKEAP1GRPRBACE1
SCHEMBL31066631 0.90 CALCRL (0.47) CALCRLKDM1AKEAP1MAOBKDM5A
SCHEMBL31573976 0.86 KDM1A (0.52) CALCRLKDM1AKEAP1MAPK8MAPK9
SCHEMBL30844409 0.86 KDM1A (0.47) CALCRLKDM1AMAPK8MAPK9MAPK10
SCHEMBL30658561 0.85 MAPK8 (0.43) KDM1AKEAP1MAPK8MAPK9MAPK10
SCHEMBL32690588 0.84 MAPK8 (0.51) CALCRLKDM1AKEAP1MAPK8MAPK9
SCHEMBL30844273 0.84 KDM1A (0.48) CALCRLKDM1AKEAP1MAPK8MAPK9
SCHEMBL29786765 0.84 MAPK8 (0.56) CALCRLKDM1AKEAP1MAPK8MAPK9
SCHEMBL30844301 0.84 KDM1A (0.48) CALCRLKDM1AKEAP1MAPK8MAPK9
SCHEMBL30844370 0.84 KDM1A (0.48) CALCRLKDM1AKEAP1MAPK8MAPK9

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
US-20250129126-A1 LONG-LASTING HEPATITIS VIRUS ENTRY INHIBITOR Chengdu AODA Biotechnology Co., Ltd (CN) 2025-04-24 — — US disclosed
Send feedback