SCHEMBL7083859

SCHEMBL7083859

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 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
SCHEMBL7083860 1.00 ESR1 (0.31) ESR1MEN1POLBKMT2ANPC1
SCHEMBL7086634 0.96 TAS1R3 (0.32) ESR1
SCHEMBL7086633 0.96 TAS1R3 (0.32) ESR1
SCHEMBL7079160 0.96 TAS1R3 (0.34) ESR1
SCHEMBL7079163 0.96 TAS1R3 (0.34) ESR1
SCHEMBL7083378 0.95 TAS1R3 (0.35) MAPT
SCHEMBL7083379 0.95 TAS1R3 (0.35) MAPT
SCHEMBL7086207 0.94 MAPT (0.30) MAPT
SCHEMBL7086209 0.94 MAPT (0.30) MAPT
SCHEMBL7083139 0.91 MAPT (0.36) MEN1KMT2ALMNAMAPT

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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