SCHEMBL7981051

SCHEMBL7981051

NCCOc1ccc2c3c(oc2c1)CCCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 4/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
USP2 O75604 1/20 0.49
MAOB P27338 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
FHIT P49789 1/20 0.45
ACHE P22303 5/20 0.45
BCHE P06276 4/20 0.44
STS P08842 2/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL1794001 0.80 TAAR1 (0.45) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL3144077 0.77 MAPT (0.52) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL1797483 0.74 XDH (0.54) RAB9AACHEBCHENPC1
SCHEMBL1793141 0.74 SIGMAR1 (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL7983419 0.73 ALOX15 (0.52) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL7105478 0.73 XDH (0.53) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL7983422 0.72 MAPT (0.44) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL5195148 0.72 ACHE (0.49) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL1796848 0.72 SIGMAR1 (0.47) MAOB
SCHEMBL22501611 0.71 MAOB (0.68) ALDH1A1HPGDHSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed