SCHEMBL9686620

SCHEMBL9686620

CCO/C=C(/C(=O)OCC)C(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPSR1 Q6W5P4 5/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLO1 Q04760 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
DHODH Q02127 4/20 0.36
GAA P10253 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLIN1 O60240 1/20 0.35
POLB P06746 1/20 0.35
PLIN5 Q00G26 1/20 0.35
ABHD5 Q8WTS1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL7011221 1.00 MAPT (0.43) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL30811881 1.00 MAPT (0.43) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL7011224 1.00 MAPT (0.43) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL29007910 0.89 NPSR1 (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL30181010 0.89 NPSR1 (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL263120 0.87 CYP1A2 (0.41) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL10692105 0.87 MAPT (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL263121 0.87 CYP1A2 (0.41) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL10692109 0.87 MAPT (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9591881 0.87 MEN1 (0.32) MAPTMEN1KMT2ANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0191185-B1 QUINOLINE-CARBOXYLIC ACID DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1990-03-07 EP disclosed
US-4871852-A BACTERICIDES AGAINST GRAMNEGATIVE AND GRAMPOSITIVE DAIICHI SEIYAKU CO., LTD. (JP) 1989-10-03 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed
EP-0191185-A1 Quinoline-carboxylic acid derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-08-20 EP disclosed