SCHEMBL9090282

SCHEMBL9090282

O=[C]C(NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.56
CTSS P25774 3/20 0.56
CTRB1 P17538 2/20 0.54
ALDH1A1 P00352 4/20 0.53
CYP1A2 P05177 3/20 0.53
ATM Q13315 2/20 0.51
TACR1 P25103 1/20 0.51
CYP3A4 P08684 8/20 0.50
TSHR P16473 6/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CASP1 P29466 2/20 0.50
POLB P06746 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
CYP2D6 P10635 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL9087031 1.00 CTSL (0.56) CTSLCTSSCTRB1ALDH1A1CYP1A2
SCHEMBL9665068 0.89 POLB (0.56) CTSLCTSSCTRB1ALDH1A1ATM
SCHEMBL11092119 0.88 ATM (0.70) CTSLCTSSALDH1A1CYP1A2ATM
SCHEMBL9299400 0.87 CTSS (0.62) CTSLCTSSCTRB1ALDH1A1CYP1A2
SCHEMBL11515068 0.86 TGM2 (0.48) CTSLCTSSATM
SCHEMBL1994994 0.83 ATM (0.48) CTSLCTSSATMTSHRPOLB
SCHEMBL3516129 0.83 ATM (0.58) CTSLCTSSCTRB1ATMTACR1
SCHEMBL4561240 0.83 ATM (0.58) CTSLCTSSCTRB1ATMTACR1
SCHEMBL3516128 0.83 ATM (0.58) CTSLCTSSCTRB1ATMTACR1
SCHEMBL1994993 0.83 ATM (0.48) CTSLCTSSATMTSHRPOLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 US claimed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 EP claimed
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
US-4683303-A Reduction process for the preparation of 4-unsubstituted azetidin-2-ones PFAENDLER HANS R (DE) 1987-07-28 US disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US disclosed
US-4416817-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-22 US disclosed
EP-0021676-B1 3-METHOXY-2-OXOAZETIDINE DERIVATIVES AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1983-09-14 EP disclosed
EP-0021676-A1 3-Methoxy-2-oxoazetidine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP disclosed
US-4175185-A ESTERIFICATION, IMINOHALOGENATION, ETHERIFICATION, HYDROLYSIS, DEESTERIFICATION MEIJI SEIKA KAISHA LTD. (JP) 1979-11-20 US disclosed
US-4018782-A 1-OXAPENICILLINS, ANTIBIOTICS QUEEN'S UNIVERSITY (CA) 1977-04-19 US disclosed
US-3985764-A REACTING CHLORINATED ESTERS OF ANHYDROBENZYLPENICILLIN WITH ALUMINA OR SILICA GEL QUEEN'S UNIVERSITY (CA) 1976-10-12 US disclosed
US-3950352-A ANTIBIOTICS, OXAPENICILLINS QUEEN'S UNIVERSITY (CA) 1976-04-13 US disclosed
US-3948927-A ANTIBIOTIC INTERMEDIATE QUEEN'S UNIVERSITY (CA) 1976-04-06 US disclosed