SCHEMBL31498517

SCHEMBL31498517

CC(C)(C)OC(=O)N[C@@H](CCC(=O)C1CC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.46
CTSK P43235 5/20 0.46
KMT2A Q03164 2/20 0.45
PPARA Q07869 5/20 0.43
PPARG P37231 4/20 0.43
TSHR P16473 1/20 0.43
ACE P12821 1/20 0.43
PPARD Q03181 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ATM Q13315 1/20 0.41
MAPK1 P28482 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
SCHEMBL20835667 0.93 CTSK (0.49) CTSSCTSKPPARAPPARGTSHR
SCHEMBL20835669 0.93 CTSK (0.49) CTSSCTSKPPARAPPARGTSHR
SCHEMBL3621626 0.92 HDAC4 (0.46) CTSSCTSKKMT2ATSHRHDAC4
SCHEMBL30977182 0.85 CYP1A2 (0.54) CTSSCTSKKMT2ATSHRHDAC4
SCHEMBL30977183 0.85 CYP1A2 (0.54) CTSSCTSKKMT2ATSHRHDAC4
SCHEMBL1324835 0.82 FOLH1 (0.56) CTSSCTSKPPARAPPARGACE
SCHEMBL2769978 0.82 FOLH1 (0.56) CTSSCTSKPPARAPPARGACE
SCHEMBL1318658 0.82 FOLH1 (0.56) CTSSCTSKPPARAPPARGACE
SCHEMBL28286745 0.81 ITGB3 (0.47) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL28286746 0.81 ITGB3 (0.47) CTSSCTSKHDAC4HDAC1HDAC6

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
CN-119894891-A KRAS G12D inhibitor and application thereof 上海和誉生物医药科技有限公司 2025-04-25 CN disclosed