SCHEMBL28675690

SCHEMBL28675690

[CH2][C@H](NC(=O)OCc1ccccc1)[C@H](C)C=C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
CTSS P25774 5/20 0.53
CTSL P07711 4/20 0.53
CTSK P43235 6/20 0.52
CTRB1 P17538 2/20 0.51
ELANE P08246 2/20 0.51
ALDH1A1 P00352 1/20 0.50
CTSB P07858 3/20 0.49
PRTN3 P24158 1/20 0.48

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
SCHEMBL28684351 1.00 ATM (0.54) ATMCTSSCTSLCTSKCTRB1
SCHEMBL28931249 1.00 ATM (0.54) ATMCTSSCTSLCTSKCTRB1
SCHEMBL937972 0.85 ATM (0.57) ATMCTSSCTSLCTSKCTRB1
SCHEMBL937973 0.85 ATM (0.57) ATMCTSSCTSLCTSKCTRB1
SCHEMBL7455071 0.84 CTSL (0.55) ATMCTSSCTSLCTSKCTRB1
SCHEMBL22469405 0.84 CTSL (0.55) ATMCTSSCTSLCTSKCTRB1
SCHEMBL22469435 0.83 ATM (0.52) ATMCTSSCTSLCTSKCTRB1
SCHEMBL22469281 0.83 ATM (0.52) ATMCTSSCTSLCTSKCTRB1
SCHEMBL17956471 0.83 ATM (0.61) ATMCTSSCTSLCTSKCTRB1
SCHEMBL17956417 0.83 ATM (0.61) ATMCTSSCTSLCTSKCTRB1

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-113874079-A Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof 吉利德科学公司 2021-12-31 CN disclosed