SCHEMBL9824312

SCHEMBL9824312

CCCC(=O)OC(=O)c1cc(F)c(F)c(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.33
COMT P21964 2/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 2/20 0.30
USP2 O75604 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1186952 0.88 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19GAAMAPT
SCHEMBL10472450 0.87 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19GAACOMT
SCHEMBL4468894 0.86 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19COMTLMNA
SCHEMBL4466462 0.82 ALDH1A1 (0.40) ALDH1A1GAATSHRKDM4EKMT2A
SCHEMBL9824894 0.82 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19MAPTLMNA
SCHEMBL9224306 0.82 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19GAAMAPT
SCHEMBL1003415 0.81 L3MBTL1 (0.41) ALDH1A1COMTLMNAHPGDSMN1; SMN2
SCHEMBL6170434 0.81 ALDH1A1 (0.39) ALDH1A1MAPTLMNAKMT2A
SCHEMBL6222479 0.81 CYP1A2 (0.44) ALDH1A1CYP1A2CYP2C19GAAMAPT
SCHEMBL8138598 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527262-B Refining method of delafloxacin and meglumine salt thereof 安徽普利药业有限公司 2022-07-15 CN disclosed
CN-113527262-A Refining method of delafloxacin and meglumine salt thereof 安徽普利药业有限公司 2021-10-22 CN disclosed
CN-104876911-A Simple method for synthesizing delafloxacin NANJING UNIVERSITY OF TECHNOLOGY 2015-09-02 CN disclosed
EP-0227088-B1 ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
US-4767762-A Tricyclic quinoline and naphthyride antibacterials ABBOTT LABORATORIES (US) 1988-08-30 US disclosed
EP-0227088-A1 Isoxazolo-naphthyridine, isoxazolo quinoline, isothiazolonaphthyridine, and isothiazoloquinoline derivatives ABBOTT LABORATORIES (US) 1987-07-01 EP disclosed