SCHEMBL9770735

SCHEMBL9770735

COc1cccc(N(c2ccc(-c3ccc(N(c4cccc(OC)c4)c4cccc(OC)c4)cc3)cc2)c2cccc(OC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 4/20 0.47
HSD17B1 P14061 3/20 0.47
ALOX15 P16050 1/20 0.45
ACHE P22303 1/20 0.45
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
ENPP2 Q13822 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOB P27338 2/20 0.44
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
ESR1 P03372 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 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
SCHEMBL915801 0.96 CA4 (0.45) HSD17B2HSD17B1ALOX15ACHEMTNR1A
SCHEMBL914300 0.96 CA4 (0.45) HSD17B2HSD17B1ALOX15ACHEMTNR1A
SCHEMBL19275026 0.96 CA4 (0.45) HSD17B2HSD17B1ALOX15ACHEMTNR1A
SCHEMBL4324691 0.95 HSD17B2 (0.47) HSD17B2HSD17B1ALOX15MTNR1AMTNR1B
SCHEMBL9763422 0.95 HSD17B2 (0.47) HSD17B2HSD17B1ALOX15MTNR1AMTNR1B
SCHEMBL17372968 0.95 HSD17B2 (0.47) HSD17B2HSD17B1ALOX15MTNR1AMTNR1B
SCHEMBL13136850 0.95 HSD17B2 (0.47) HSD17B2HSD17B1ALOX15MTNR1AMTNR1B
SCHEMBL12463079 0.95 HSD17B2 (0.47) HSD17B2HSD17B1ALOX15MTNR1AMTNR1B
SCHEMBL3442214 0.95 HSD17B2 (0.47) HSD17B2HSD17B1ALOX15MTNR1AMTNR1B
SCHEMBL14163837 0.94 ACHE (0.50) HSD17B2HSD17B1ALOX15ACHEMTNR1A

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-5011939-A Hydroxy functionalized arylamine compounds XEROX CORPORATION (US) 1991-04-30 US disclosed