SCHEMBL31228242

SCHEMBL31228242

COC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN[C@@H]1COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
BCHE P06276 2/20 0.39
ATM Q13315 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
DHFR P00374 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
SCHEMBL31228227 0.75 YAP1 (0.39) ATMMEN1KMT2A
SCHEMBL31228241 0.75 YAP1 (0.39) ATMMEN1KMT2A
SCHEMBL31228458 0.72 GRIN2B (0.37) ATMCYP3A4MEN1KMT2A
SCHEMBL31153940 0.71 YAP1 (0.39) ATMCTSL
SCHEMBL11299615 0.71 ABCB1 (0.55) ATMCTSLCTSBCTSSCTSK
SCHEMBL28952809 0.69 SMN1; SMN2 (0.55) MEN1KMT2A
SCHEMBL28952807 0.69 SMN1; SMN2 (0.55) MEN1KMT2A
SCHEMBL25896331 0.69 SMN1; SMN2 (0.55) MEN1KMT2A
SCHEMBL13942041 0.67 BCHE (0.50) ACHEBCHETSHRCTSLCTSB
SCHEMBL31228531 0.66 KLK7 (0.39) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed