SCHEMBL8796935

SCHEMBL8796935

CSc1cc(C(C)C)c(N)c(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL23234710 0.87 ALDH1A1 (0.34) GAAPOLBGFERALDH1A1HTT
SCHEMBL5381501 0.83 CA1 (0.32) CA1CA2GAAPOLBGFER
SCHEMBL5381511 0.77 POLB (0.32) GAAPOLBGFER
SCHEMBL9181900 0.76 CA1 (0.31) CA1CA2GAAPOLBGFER
SCHEMBL8797567 0.74 ALDH1A1 (0.46) CA2POLBALDH1A1HTT
SCHEMBL2155116 0.74 ALDH1A1 (0.38) SLC6A2CA1CA2GAAPOLB
SCHEMBL461449 0.74 CA1 (0.55) SLC6A2CA1CA2GAAPOLB
SCHEMBL16706079 0.73 CA1 (0.30) CA1CA2
Hydrochloric Acid SCHEMBL5431425 0.72 GAA (0.38) SLC6A2CA1CA2GAAPOLB
SCHEMBL29926096 0.72 CA1 (0.52) SLC6A2CA1CA2GAAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed