SCHEMBL8944063

SCHEMBL8944063

COc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CYP1A2 P05177 6/20 0.46
CYP1A1 P04798 5/20 0.46
CYP1B1 Q16678 5/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 3/20 0.46
NFE2L2 Q16236 3/20 0.43
KEAP1 Q14145 1/20 0.43
LMNA P02545 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL8943675 0.96 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL8944319 0.93 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL19958555 0.91 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL16421022 0.91 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL15220401 0.90 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL14126440 0.90 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL15212624 0.89 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8943694 0.88 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL22015333 0.87 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL10888170 0.87 CA12 (0.43) 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