SCHEMBL6933012

SCHEMBL6933012

CO/C=C(/C(=O)OC)c1ccccc1Oc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 2/20 0.42
PNLIP P16233 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.41
CTNNB1 P35222 1/20 0.41
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL6933014 1.00 MEN1 (0.44) MEN1KMT2ALMNAGAAHTT
SCHEMBL29358669 0.90 CTNNB1 (0.51) MEN1KMT2ALMNAGAAHTT
SCHEMBL203716 0.90 CTNNB1 (0.51) MEN1KMT2ALMNAGAAHTT
SCHEMBL6932850 0.90 CTNNB1 (0.51) MEN1KMT2ALMNAGAAHTT
SCHEMBL9152662 0.89 MEN1 (0.44) MEN1KMT2ALMNAGAAHTT
SCHEMBL9152656 0.89 MEN1 (0.44) MEN1KMT2ALMNAGAAHTT
SCHEMBL9152650 0.89 MEN1 (0.44) MEN1KMT2ALMNAGAAHTT
SCHEMBL7163197 0.88 CTNNB1 (0.45) MEN1KMT2ALMNAGAAHTT
SCHEMBL9151674 0.86 GAA (0.46) MEN1KMT2ALMNAGAAHTT
SCHEMBL9151680 0.86 GAA (0.46) MEN1KMT2ALMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178826-B2 Fungicides SYNGENTA LTD (GB) 2003-04-09 EP disclosed
EP-0178826-B1 FUNGICIDES ZENECA LIMITED (GB) 1991-12-18 EP disclosed