SCHEMBL11514636

SCHEMBL11514636

Oc1ccc(O)c(OP)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.60
CA12 O43570 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
CA14 Q9ULX7 5/20 0.38
CA1 P00915 4/20 0.38
CA7 P43166 4/20 0.38
ALOX5 P09917 4/20 0.38
TYR P14679 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PTGS2 P35354 1/20 0.38
CES2 O00748 1/20 0.34

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
SCHEMBL172384 0.76 TRPA1 (0.52) MAOBCA2CA9CA1ALDH1A1
SCHEMBL62784 0.75 MAOB (1.00) MAOBCA2CA1TYRALDH1A1
SCHEMBL29373807 0.75 MAOB (1.00) MAOBCA2CA1TYRALDH1A1
SCHEMBL8186220 0.73 MAOB (0.95) MAOBCA2CA1TYRALDH1A1
SCHEMBL8186219 0.73 MAOB (0.95) MAOBCA2CA1TYRALDH1A1
SCHEMBL10884899 0.73 MAOB (0.58) MAOBCA12CA2CA9CA14
Methoxymethane SCHEMBL10894687 0.73 MAOB (0.95) MAOBCA2CA1TYRALDH1A1
SCHEMBL23429926 0.71 MAOB (0.56) MAOBCA12CA2CA9CA14
SCHEMBL9633584 0.71 MAOB (0.56) MAOBCA12CA2CA9CA14
Hydroquinone SCHEMBL7192663 0.71 MAOB (0.91) MAOBCA2TYRALDH1A1HTT

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-4171420-A Latent catalysts for promoting reaction of epoxides with phenols and/or carboxylic acids THE DOW CHEMICAL COMPANY (US) 1979-10-16 US claimed
US-4171420-A Latent catalysts for promoting reaction of epoxides with phenols and/or carboxylic acids THE DOW CHEMICAL COMPANY (US) 1979-10-16 US disclosed