SCHEMBL7080209

SCHEMBL7080209

CCOC(=O)/C(=C/NC1CCCC1)C(=O)c1c(F)c(C)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.38
▸ TAS1R1 Q7RTX1 3/20 0.38
▸ TAS1R2 Q8TE23 3/20 0.38
▸ MAPT P10636 6/20 0.35
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GLO1 Q04760 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL7080211 1.00 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2MAPTGAA
SCHEMBL7082744 0.99 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2MAPTGAA
SCHEMBL7082739 0.99 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2MAPTGAA
SCHEMBL7082747 0.98 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2MAPTGAA
SCHEMBL7082742 0.98 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2MAPTGAA
SCHEMBL7083137 0.96 MAPT (0.36) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL7083139 0.96 MAPT (0.36) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL7079154 0.93 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2MAPTGAA
SCHEMBL7079151 0.93 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2MAPTGAA
SCHEMBL7083518 0.92 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2MAPTGAA

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 3 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
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