SCHEMBL8944053

SCHEMBL8944053

COc1ccc(N(c2ccccc2)c2ccc(OC)c(OC)c2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.40
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
HSD17B10 Q99714 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL10064631 0.90 MEN1 (0.45) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL8002568 0.89 MEN1 (0.47) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL14163849 0.88 MEN1 (0.42) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL2734807 0.87 MEN1 (0.43) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL29511979 0.87 MEN1 (0.43) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL1673428 0.87 MEN1 (0.43) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL8944264 0.85 MEN1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL13152130 0.84 CYP11B1 (0.43) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL8943919 0.83 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8944108 0.83 CA1 (0.42) CA12CA1CA2CA7CA9

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed