SCHEMBL6511932

SCHEMBL6511932

CCOC(=O)C(=CNC(C)CO)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHODH Q02127 3/20 0.35
GAA P10253 5/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 2/20 0.33
STAT1 P42224 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5534138 1.00 MEN1 (0.36) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL26365723 0.87 MEN1 (0.35) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL10392582 0.86 MEN1 (0.37) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL9748463 0.85 CES2 (0.31) TDP1SMN1; SMN2
SCHEMBL9746643 0.85 CES2 (0.31) TDP1SMN1; SMN2
SCHEMBL25379757 0.85 CES2 (0.31) TDP1SMN1; SMN2
SCHEMBL9510054 0.85 KMT2A (0.35) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL10683398 0.84 CYP2D6 (0.37) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL13502976 0.83 MEN1 (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL26197015 0.82 MEN1 (0.33) MEN1KMT2ANPSR1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005123746-A1 METHODS FOR PREPARATION OF LEVOFLOXACIN AND OFLOXACIN ZHE JIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2005-12-29 WO disclosed
US-4958045-A ENAMINES, BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-09-18 US disclosed
US-4859773-A Preparation of 1,8-bridged 4-quinoline-3-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-08-22 US disclosed
US-4762831-A PROMOTE ANIMAL GROWTH BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0206101-A1 Process for the preparation of 1,8-bridged 4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-12-30 EP disclosed