SCHEMBL7083378

SCHEMBL7083378

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.35
▸ TAS1R1 Q7RTX1 3/20 0.35
▸ TAS1R2 Q8TE23 3/20 0.35
▸ EPHX1 P07099 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL7083379 1.00 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2EPHX1EPHX2
SCHEMBL7079163 0.99 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2EPHX1
SCHEMBL7079160 0.99 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2EPHX1
SCHEMBL7086633 0.97 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL7086634 0.97 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL7083859 0.95 ESR1 (0.31) MAPT
SCHEMBL7083860 0.95 ESR1 (0.31) MAPT
SCHEMBL7083518 0.94 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL7083516 0.94 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL7079151 0.94 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2MAPT

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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