SCHEMBL7083516

SCHEMBL7083516

CCCOC(=O)/C(=C/NC1CCCCC1)C(=O)c1c(F)c(C)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ TAS1R2 Q8TE23 3/20 0.37
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP3 P42574 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
SCHEMBL7083518 1.00 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL7079154 0.99 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2MAPTGAA
SCHEMBL7079151 0.99 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2MAPTGAA
SCHEMBL7084595 0.97 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL7084593 0.97 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL7086209 0.95 MAPT (0.30) TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL7086207 0.95 MAPT (0.30) TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL7083379 0.94 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL7083378 0.94 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL7079160 0.94 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2

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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