SCHEMBL6207088

SCHEMBL6207088

O=C(O)c1ccc2c(c1)NC=CO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.40
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 5/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
PTGS2 P35354 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18128163 0.86 TSHR (0.46) ALOX5ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL6918957 0.86 ALDH1A1 (0.43) ALOX5ALDH1A1MAPK1POLBTDP1
SCHEMBL19859433 0.75 TSHR (0.45) ALDH1A1SMN1; SMN2KDM4ETSHRRAB9A
SCHEMBL6030031 0.74
SCHEMBL18522671 0.74 TSHR (0.46) ALOX5ALDH1A1MAPK1HTTPOLB
SCHEMBL9309297 0.74 ALDH1A1 (0.57) ALOX5ALDH1A1MAPK1POLBTDP1
SCHEMBL28400911 0.71 ALOX5 (0.83) ALOX5ALDH1A1MAPK1HTTPOLB
SCHEMBL8471689 0.70 ALDH1A1 (0.53) ALOX5ALDH1A1MAPK1HTTPOLB
SCHEMBL5515460 0.70 ALDH1A1 (0.42) ALDH1A1TDP1KDM4EPTGS2TSHR
SCHEMBL1239351 0.69 HTT (0.46) ALOX5ALDH1A1HTTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020459-B1 CIS-DISUBSTITUTED AMINOCYCLOALKYL-PYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-04-06 EP claimed
EP-0831869-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1999-04-21 EP claimed
EP-0831869-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 EP claimed
WO-1996040190-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO claimed
JP-60184014-A None JP disclosed
JP-6016673-A None JP disclosed
EP-1020459-B1 CIS-DISUBSTITUTED AMINOCYCLOALKYL-PYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-04-06 EP disclosed
CN-1081951-C Use of ion exchange resins loaded with quioolonecarboxylic acid derivatives BAYER AG (DE) 2002-04-03 CN disclosed
CN-1054040-C Preparation of ion exchange resins carrying quinolone carboxylic acid derivatives BAYER AG (DE) 2000-07-05 CN disclosed
CN-1108968-A Use of ion exchange resins loaded with quioolonecarboxylic acid derivatives BAYER AG (DE) 1995-09-27 CN disclosed
CN-1102184-A Novel pyridonecarboxylic acid derivatives and processes for preparing the same KOREA RES INST CHEM TECH (KR) 1995-05-03 CN disclosed
WO-1994002487-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-02-03 WO disclosed
JP-H0616673-A 7-OXO-7H-PYRIDO(1,2,3-DE)(1,4)BENZOXADINE-6-CAROXYLIC ACID AND ITS ESTER BAYER AG 1994-01-25 JP disclosed
EP-0253235-B1 1,8-BRIDGED 4-QUINOLONE CARBOXYLIC ACIDS AND MEDICAMENTS CONTANING THEM BAYER AG (DE) 1991-01-02 EP disclosed
US-4826985-A Intermediates for preparation of racemate and optically active ofloxacin and related derivatives ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
CN-88103473-A Preparation and application of ion exchange resin loaded with quinolone carboxylic acid derivative 1988-12-28 CN disclosed
US-4777253-A Process for preparation of racemate and optically active ofloxacin and related derivatives ABBOTT LABORATORIES (US) 1988-10-11 US disclosed
EP-0187315-A2 Basic quinolonecarboxylic-acid preparations BAYER AG (DE) 1986-07-16 EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US disclosed
JP-S60184014-A PREVENTIVE AND REMEDY FOR MYCOPLASMOSIS OF ANIMAL DAI ICHI SEIYAKU CO LTD 1985-09-19 JP disclosed