SCHEMBL11066637

SCHEMBL11066637

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)CC2C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ELANE P08246 1/20 0.46
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 2/20 0.45
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL11150895 0.86 RAB9A (0.47) PLCG1ALDH1A1MAPTHPGDPOLB
SCHEMBL9666113 0.85 ALDH1A1 (0.45) PLCG1ALDH1A1MAPTHPGDPOLB
SCHEMBL11148244 0.84 ALDH1A1 (0.44) PLCG1ALDH1A1MAPTHPGDPOLB
SCHEMBL11110585 0.83 ALDH1A1 (0.43) PLCG1ALDH1A1MAPTHPGDPOLB
SCHEMBL11160099 0.83 ALDH1A1 (0.43) PLCG1ALDH1A1MAPTHPGDPOLB
SCHEMBL9870975 0.82 ALDH1A1 (0.49) PLCG1ALDH1A1MAPTHPGDPOLB
SCHEMBL11147202 0.81 ALDH1A1 (0.42) PLCG1ALDH1A1MAPTHPGDPOLB
SCHEMBL11238305 0.81 POLB (0.43) PLCG1ALDH1A1MAPTHPGDPOLB
SCHEMBL11188743 0.81 TDP1 (0.48) PLCG1ALDH1A1MAPTHPGDPOLB
SCHEMBL11173415 0.81 ELANE (0.53) PLCG1ALDH1A1MAPTHPGDPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431587-A AMINO ACID DERIVATIVE ANTIVBIOTICS BEECHAM GROUP LIMITED (GB) 1984-02-14 US disclosed
US-4405637-A CARBAPENICILLIN BEECHAM GROUP LIMITED (GB) 1983-09-20 US disclosed
US-4401595-A 4-Allyl azetidinone intermediate for β-lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1983-08-30 US disclosed
US-4350703-A β-Lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed