SCHEMBL28614288

SCHEMBL28614288

COC(O)CCC(NC(=O)OCc1ccccc1)OP=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
CTRB1 P17538 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KYNU Q16719 1/20 0.43
CTSK P43235 2/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ELANE P08246 2/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42

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
SCHEMBL10430099 0.83 CTSL (0.57) ATMCTRB1CTSLCTSSCTSK
SCHEMBL28141917 0.81 CTRB1 (0.58) ATMCTRB1ALDH1A1CTSLCTSS
SCHEMBL9074306 0.81 CTRB1 (0.58) ATMCTRB1ALDH1A1CTSLCTSS
SCHEMBL23501482 0.77 ATM (0.56) ATMCTRB1CTSLCTSSNPC1
SCHEMBL13017006 0.77 ATM (0.56) ATMCTRB1CTSLCTSSNPC1
SCHEMBL14927646 0.75 CTRB1 (0.61) ATMCTRB1ALDH1A1CTSLCTSS
SCHEMBL2059541 0.72 ATM (0.62) ATMCTRB1ALDH1A1CTSLCTSS
SCHEMBL16361180 0.71 ALDH1A1 (0.54) ATMCTRB1ALDH1A1CTSLCTSS
SCHEMBL9211817 0.71 CTSS (0.57) ATMCTRB1ALDH1A1CTSLCTSS
SCHEMBL19062411 0.71 CTRB1 (0.62) ATMCTRB1ALDH1A1CTSLCTSS

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-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 CN disclosed