SCHEMBL7083137

SCHEMBL7083137

CCOC(=O)/C(=C/NC1CC1)C(=O)c1c(F)c(C)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.34
▸ GLO1 Q04760 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ TAS1R3 Q7RTX0 4/20 0.32
▸ TAS1R1 Q7RTX1 3/20 0.32
▸ TAS1R2 Q8TE23 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ DHODH Q02127 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
SCHEMBL7083139 1.00 MAPT (0.36) MAPTLMNAGLO1CYP1A2CYP2C19
SCHEMBL7082747 0.96 TAS1R3 (0.35) MAPTLMNAGLO1CYP1A2CYP2C19
SCHEMBL7082742 0.96 TAS1R3 (0.35) MAPTLMNAGLO1CYP1A2CYP2C19
SCHEMBL7080209 0.96 TAS1R3 (0.38) MAPTLMNAGLO1CYP1A2CYP2C19
SCHEMBL7080211 0.96 TAS1R3 (0.38) MAPTLMNAGLO1CYP1A2CYP2C19
SCHEMBL7082739 0.95 TAS1R3 (0.39) MAPTLMNAGLO1TAS1R3TAS1R1
SCHEMBL7082744 0.95 TAS1R3 (0.39) MAPTLMNAGLO1TAS1R3TAS1R1
SCHEMBL7086209 0.93 MAPT (0.30) MAPTTAS1R3TAS1R1TAS1R2
SCHEMBL7086207 0.93 MAPT (0.30) MAPTTAS1R3TAS1R1TAS1R2
SCHEMBL7083859 0.91 ESR1 (0.31) MAPTLMNAMEN1KMT2A

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-1132375-B1 AMINOACRYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ASAHI GLASS CO LTD (JP) 2003-07-16 — — EP disclosed
US-6531624-B1 Intermediates of quinolone antibiotics;3-dimethylamino-2-(2,4,5-trifluoro-3-methyl-6 -nitrobenzoyl)acrylates ASAHI GLASS COMPANY LTD. (JP) 2003-03-11 — — US disclosed
EP-1132375-A1 AMINOACRYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ASAHI GLASS COMPANY LTD. (JP) 2001-09-12 — — EP disclosed
US-5859026-A ADMINISTERING AS AN ANTIBACTERIAL AGENT HOKURIKU SEIYAKU CO., LTD. (JP) 1999-01-12 — — US disclosed
EP-0806421-A1 QUINOLINECARBOXYLIC ACID DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 1997-11-12 — — EP disclosed
EP-0641793-B1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU PHARMACEUTICAL (JP) 1996-10-23 — — EP disclosed
US-5547962-A QUINOLONE ANTIBIOTICS HORURIKU SEIYAKU CO., LTD. (JP) 1996-08-20 — — US disclosed
EP-0641793-A1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-08 — — EP disclosed
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