SCHEMBL8943944

SCHEMBL8943944

COc1ccc(N(c2ccc(OC)cc2)c2ccc(Sc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HAO1 Q9UJM8 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
SLC2A1 P11166 1/20 0.42
ACHE P22303 1/20 0.41
ENPP2 Q13822 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2C P28335 1/20 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
SCHEMBL8943632 0.92 CA4 (0.46) PTGIRCA1CA2CA12CA7
SCHEMBL8944197 0.92 ACHE (0.56) PTGIRCA1CA2CA12CA7
SCHEMBL8944222 0.92 CA4 (0.46) PTGIRCA1CA2CA12CA7
SCHEMBL8943939 0.91 CA4 (0.45) PTGIRMEN1POLBKMT2AHTR2C
SCHEMBL482369 0.86 CA1 (0.65) PTGIRCA1CA2CA12CA7
SCHEMBL6233100 0.86 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL1573622 0.86 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL8943756 0.85 CYP1A1 (0.60) CA1CA2CA12CA7CA9
SCHEMBL8943768 0.85 CYP1A1 (0.60) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL11848856 0.84 CA1 (0.61) PTGIRCA1CA2CA12CA7

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