SCHEMBL11147202

SCHEMBL11147202

COCCSC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)CC2C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PLCG1 P19174 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
RAB9A P51151 2/20 0.40
PAX8 Q06710 1/20 0.40
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 1/20 0.38

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
SCHEMBL11148226 0.92 ALDH1A1 (0.41) ALDH1A1MAPTHPGDPLCG1HTT
SCHEMBL11148470 0.90 PLCG1 (0.41) ALDH1A1MAPTHPGDPLCG1HTT
SCHEMBL11144716 0.89 PLCG1 (0.42) ALDH1A1MAPTHPGDPLCG1HTT
SCHEMBL11148244 0.89 ALDH1A1 (0.44) ALDH1A1MAPTHPGDPLCG1HTT
SCHEMBL11153615 0.88 ALDH1A1 (0.42) ALDH1A1MAPTHPGDPLCG1HTT
SCHEMBL11150296 0.87 PLCG1 (0.42) ALDH1A1MAPTHPGDPLCG1HTT
SCHEMBL11108414 0.87 RAB9A (0.42) ALDH1A1MAPTHPGDPLCG1HTT
SCHEMBL11150895 0.86 RAB9A (0.47) ALDH1A1MAPTHPGDPLCG1HTT
SCHEMBL11145972 0.86 DPP8 (0.45) ALDH1A1MAPTHPGDPLCG1HTT
SCHEMBL11200258 0.84 TDP1 (0.50) ALDH1A1MAPTHPGDPLCG1HTT

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-0008888-B1 BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-09-21 EP disclosed