SCHEMBL31107757

SCHEMBL31107757

CC(C)(C)OC(=O)N[C@H](CNc1ncccn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.49
PPARA Q07869 8/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 2/20 0.46
APP P05067 2/20 0.44
IDO1 P14902 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CTSS P25774 4/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PTPN1 P18031 2/20 0.42
ATM Q13315 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
SCHEMBL10129663 0.85 PPARA (0.44) ACEPPARAPPARGPPARDAPP
SCHEMBL7417672 0.85 ALDH1A1 (0.48) ACEPPARAPPARGPPARDIDO1
SCHEMBL644995 0.82 PPARA (0.44) ACEPPARAPPARGPPARDAPP
SCHEMBL29039971 0.81 ACE (0.54) ACEPPARAPPARGPPARDAPP
SCHEMBL28583142 0.81 ACE (0.54) ACEPPARAPPARGPPARDAPP
SCHEMBL4597846 0.81 CTSK (0.47) ACECTSSCTSKCTSLCTSB
SCHEMBL646896 0.78 KMT2A (0.49) ACEPPARAPPARGPPARD
SCHEMBL215178 0.76 ACE (0.56) ACEPPARAPPARGPPARDIDO1
SCHEMBL215179 0.76 ACE (0.56) ACEPPARAPPARGPPARDIDO1
SCHEMBL268002 0.76 ACE (0.56) ACEPPARAPPARGPPARDIDO1

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
WO-2025235389-A1 P53 MODULATORS NESTED THERAPEUTICS, INC. (US) 2025-11-13 WO disclosed
WO-2024215802-A1 BENZOFURANYL AND BENZOTHIENYL COMPOUNDS AS P53 MODULATORS NESTED THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed