SCHEMBL12828895

SCHEMBL12828895

COc1c(F)ccc(C(=O)CC=O)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 2/20 0.44
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ TUBB1 Q9H4B7 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KRAS P01116 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CPS1 P31327 1/20 0.31

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
SCHEMBL27581775 0.82 MEP1B (0.43) MEP1BCES2CES1TUBB1HIF1A
SCHEMBL5743863 0.81 HPGDS (0.46) MEP1BCES2CES1TUBB1SMN1; SMN2
SCHEMBL27878806 0.77 MEP1B (0.43) MEP1BCES2CES1TUBB1SMN1; SMN2
SCHEMBL27778992 0.77 MEP1B (0.40) MEP1BCES2CES1TUBB1SMN1; SMN2
SCHEMBL116280 0.76 CES2 (0.45) MEP1BCES2CES1TUBB1LMNA
SCHEMBL606872 0.76 TDP1 (0.49) MEP1BCES2CES1TUBB1LMNA
SCHEMBL24918 0.75 CES2 (0.44) MEP1BCES2CES1TUBB1HIF1A
SCHEMBL201535 0.75 CES2 (0.44) MEP1BCES2CES1TUBB1LMNA
SCHEMBL3808483 0.75 CES2 (0.48) MEP1BCES2CES1SMN1; SMN2LMNA
SCHEMBL116517 0.75 MEN1 (0.50) MEP1BCES2CES1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915418-B2 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-29 — — US disclosed
US-7626029-B2 Into a difluorobenzoic acid, for producting quinolonecarboxylic acid serving as synthetic antibacterial agent, medicament, agricultural chemical, or veterinary drug; ionic liquid solvents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-12-01 — — US disclosed
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