SCHEMBL10586014

SCHEMBL10586014

O=C(O)Cc1c(F)c(F)c(C(=O)O)c(F)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
AKR1B1 P15121 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
FOLH1 Q04609 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
SCHEMBL28401272 0.93 DUSP3 (0.35) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL4674767 0.84 DUSP3 (0.35) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL15948192 0.78 AKR1B1 (0.42) AKR1B1KDM4ELMNAFOLH1
SCHEMBL15948206 0.76 AKR1B1 (0.41) AKR1B1KDM4ELMNAFOLH1
SCHEMBL503968 0.76 AKR1B1 (0.41) AKR1B1KDM4EFOLH1
SCHEMBL336420 0.75 CES2 (0.42) KDM4EASPHKDM8LMNA
SCHEMBL16673166 0.75 KDM4E (0.42) KDM4EASPHKDM8
SCHEMBL141037 0.75 CYP1A2 (0.40) KDM4EASPHKDM8LMNA
SCHEMBL542568 0.75 MEN1 (0.35) POLB
SCHEMBL15948146 0.74 AKR1B1 (0.39) AKR1B1KDM4EFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319906-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-14 EP disclosed