SCHEMBL8859633

SCHEMBL8859633

C#CCOc1cc(OCC#C)c2c(=O)cc(-c3ccc(OC)c(OCC#C)c3)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.66
MAOA P21397 3/20 0.60
ABCB1 P08183 4/20 0.55
ABCG2 Q9UNQ0 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55
MDM2 Q00987 1/20 0.55
CYP1A1 P04798 4/20 0.54
CYP1A2 P05177 4/20 0.54
CYP1B1 Q16678 2/20 0.52
OPRD1 P41143 1/20 0.51
CYP2B6 P20813 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL2484718 0.94 MAOB (0.70) MAOBMAOAABCB1ABCG2MEN1
SCHEMBL2485248 0.87 CYP1B1 (0.71) MAOBMAOAABCB1ABCG2MEN1
SCHEMBL9928629 0.83 ABCB1 (0.59) MAOBMAOAABCB1ABCG2MEN1
SCHEMBL8305990 0.80 MAOB (0.66) MAOBMAOAABCB1ABCG2MEN1
SCHEMBL8427265 0.80 KDM4E (0.59) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL731601 0.80 ABCB1 (0.54) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL7603349 0.79 BRD4 (0.64) MAOBMAOAABCB1ABCG2MEN1
Tetramethylluteolin SCHEMBL29572571 0.79 ABCB1 (0.80) ABCB1ABCG2MEN1KMT2ATP53
Tetramethylluteolin SCHEMBL29725288 0.79 ABCB1 (0.80) ABCB1ABCG2MEN1KMT2ATP53
Tetramethylluteolin SCHEMBL1421511 0.79 ABCB1 (0.80) ABCB1ABCG2MEN1KMT2ATP53

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-5629339-A CHRONIC VENOUS INSUFFICIENCY ADIR ET COMPAGNIE (FR) 1997-05-13 US disclosed