SCHEMBL24372558

SCHEMBL24372558

C(=C/c1ccc(-c2ccccc2)cc1)\COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.52
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
IDO1 P14902 2/20 0.48
CA1 P00915 1/20 0.47
MGLL Q99685 1/20 0.47
RELA Q04206 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
PPARA Q07869 4/20 0.44
PPARD Q03181 3/20 0.44
PPARG P37231 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LCK P06239 1/20 0.41

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
SCHEMBL31453511 0.93 MAOA (0.56) AOC3MAOAMAOBIDO1RELA
SCHEMBL31453520 0.89 RELA (0.47) MAOAMAOBIDO1RELAKMT2A
SCHEMBL31453512 0.89 NFE2L2 (0.47) AOC3MAOAMAOBIDO1CA1
SCHEMBL11426742 0.88 IDO1 (0.61) AOC3MAOAMAOBIDO1RELA
SCHEMBL1158152 0.88 IDO1 (0.61) AOC3MAOAMAOBIDO1RELA
SCHEMBL1158153 0.88 IDO1 (0.61) AOC3MAOAMAOBIDO1RELA
SCHEMBL2234412 0.84 AOC3 (0.50) AOC3MAOAMAOBIDO1RELA
SCHEMBL2234415 0.84 AOC3 (0.50) AOC3MAOAMAOBIDO1RELA
SCHEMBL31453517 0.84 AOC3 (0.50) AOC3MAOAMAOBIDO1RELA
SCHEMBL31453516 0.84 NFE2L2 (0.53) AOC3MAOAMAOBIDO1RELA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220128867-A1 SUBSTRATE AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2022-04-28 US disclosed