SCHEMBL9650244

SCHEMBL9650244

C(=CC(C=Cc1ccccc1)OC(C=Cc1ccccc1)C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
CYP1A2 P05177 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TRPA1 O75762 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NFE2L2 Q16236 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAOA P21397 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 2/20 0.40
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 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
SCHEMBL9650238 1.00 MAOB (0.48) MAOBCYP1A2MEN1KMT2ATRPA1
SCHEMBL3807239 0.87 MEN1 (0.45) MAOBCYP1A2MEN1KMT2ATRPA1
1,6-Hexanediol SCHEMBL9652650 0.84 CYP1A2 (0.40) MAOBCYP1A2MEN1KMT2AIDO1
1,6-Hexanediol SCHEMBL9652641 0.84 CYP1A2 (0.40) MAOBCYP1A2MEN1KMT2AIDO1
SCHEMBL721933 0.80 LMNA (0.42) MAOBCYP1A2MEN1KMT2AALDH1A1
SCHEMBL30872010 0.79 MAOB (0.42) MAOBCYP1A2MEN1KMT2ATRPA1
SCHEMBL23357391 0.76 MAOB (0.44) MAOBCYP1A2MEN1KMT2ATRPA1
SCHEMBL1972961 0.76 MAOB (0.44) MAOBCYP1A2MEN1KMT2ATRPA1
SCHEMBL9493104 0.76 MAOB (0.39) MAOBCYP1A2MEN1KMT2ATRPA1
Hydrochloric Acid SCHEMBL28201563 0.75 MAOB (0.48) MAOBCYP1A2MEN1KMT2ATRPA1

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
US-5138001-A Optical disc substrates; low birefringence, heat and moisture absorption resistance, high transparency TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0415729-A2 Vinylphenyl compound, process for the production thereof, polymerizable composition containing same, and crosslinked polymer formed therefrom TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed