SCHEMBL25907516

SCHEMBL25907516

C[C@H](NC(=O)OCc1ccccc1)C(CCO)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
SYK P43405 1/20 0.43
CTSK P43235 4/20 0.43
CTSL P07711 3/20 0.43
CTSS P25774 3/20 0.43
CTSB P07858 2/20 0.43
ELANE P08246 1/20 0.42
CTRB1 P17538 2/20 0.42
MAPT P10636 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
SCHEMBL30550771 1.00 ATM (0.50) ATMSYKCTSKCTSLCTSS
SCHEMBL13303252 0.94 ATM (0.48) ATMSYKCTSKCTSLCTSS
SCHEMBL26782892 0.93 ATM (0.47) ATMSYKCTSKCTSLCTSS
SCHEMBL13303250 0.85 ATM (0.48) ATMSYKCTSKCTSLCTSS
SCHEMBL18157219 0.83 ATM (0.53) ATMSYKCTSKCTSLCTSS
SCHEMBL12262714 0.82 ATM (0.50) ATMSYKCTSKCTSLCTSS
SCHEMBL25321397 0.81 P2RX7 (0.46) ATMCTSK
SCHEMBL25321389 0.81 P2RX7 (0.46) ATMCTSK
SCHEMBL25907518 0.81 P2RX7 (0.46) ATMCTSK
SCHEMBL26782894 0.81 P2RX7 (0.46) ATMCTSK

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
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed