SCHEMBL8943802

SCHEMBL8943802

COc1ccc(N(c2ccc(OC)cc2)c2ccccc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.51
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CA4 P22748 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LTA4H P09960 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL8943935 0.96 PTGES (0.51) PTGESALDH1A1L3MBTL1MAPK1HTT
SCHEMBL5608129 0.89 PTGES (0.44) PTGESALDH1A1MAPK1CA4CA12
SCHEMBL19275049 0.88 CA1 (0.48) PTGESALDH1A1L3MBTL1MAPK1HTT
SCHEMBL19275032 0.86 CA1 (0.46) PTGESALDH1A1L3MBTL1MAPK1HTT
SCHEMBL4669496 0.86 CA1 (0.50) ALDH1A1L3MBTL1MAPK1HTTCA4
SCHEMBL29449742 0.86 CA1 (0.50) ALDH1A1L3MBTL1MAPK1HTTCA4
SCHEMBL17201848 0.84 PTGES (0.41) PTGESALDH1A1L3MBTL1MAPK1HTT
SCHEMBL14126354 0.83 CA12 (0.43) PTGESALDH1A1CA4CA12CA1
SCHEMBL8944319 0.82 CA12 (0.46) ALDH1A1CA4CA12CA1CA2
SCHEMBL18392045 0.82 MTNR1A (0.43) PTGESALDH1A1MAPK1CA4MAPT

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