SCHEMBL9666113

SCHEMBL9666113

CC(O)C1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)CC2C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PLCG1 P19174 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
HTR2A P28223 1/20 0.42
RAB9A P51151 2/20 0.42
ELANE P08246 1/20 0.41
PAX8 Q06710 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11066637 0.85 PLCG1 (0.53) ALDH1A1MAPTHPGDPLCG1TDP1
SCHEMBL11150895 0.82 RAB9A (0.47) ALDH1A1MAPTHPGDPLCG1TDP1
SCHEMBL11148244 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHPGDPLCG1TDP1
SCHEMBL11110585 0.80 ALDH1A1 (0.43) ALDH1A1MAPTHPGDPLCG1TDP1
SCHEMBL11160099 0.79 ALDH1A1 (0.43) ALDH1A1MAPTHPGDPLCG1TDP1
SCHEMBL11453132 0.79 PLCG1 (0.41) ALDH1A1MAPTHPGDPLCG1TDP1
SCHEMBL11116999 0.79 PLCG1 (0.41) ALDH1A1MAPTHPGDPLCG1TDP1
SCHEMBL11150066 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHPGDPLCG1TDP1
SCHEMBL11147202 0.78 ALDH1A1 (0.42) ALDH1A1MAPTHPGDPLCG1TDP1
SCHEMBL11188743 0.77 TDP1 (0.48) ALDH1A1MAPTHPGDPLCG1TDP1

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
EP-0243686-B1 BETA-LACTAM COMPOUNDS, AND THEIR PRODUCTION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-15 EP disclosed