SCHEMBL16623255

SCHEMBL16623255

CCc1cc(C)c2oc(COc3ccc4c(C)cc(=O)oc4c3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 5/20 0.60
MAOB P27338 5/20 0.60
MAOA P21397 3/20 0.60
CASP3 P42574 2/20 0.60
SENP8 Q96LD8 2/20 0.60
SENP7 Q9BQF6 2/20 0.60
SENP6 Q9GZR1 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
AR P10275 2/20 0.57
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 5/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 4/20 0.55
GLA P06280 2/20 0.55
GAA P10253 2/20 0.55
ALDH2 P05091 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL11886573 0.87 MAOB (0.59) RAB9ANPC1MAOBMAOACASP3
SCHEMBL31679658 0.87 MAOB (0.59) RAB9ANPC1MAOBMAOACASP3
SCHEMBL120546 0.83 MAOB (0.57) RAB9ANPC1MAOBMAOACASP3
SCHEMBL11886568 0.81 NPC1 (0.59) RAB9ANPC1MAOBMAOACASP3
SCHEMBL118917 0.81 NPC1 (0.62) RAB9ANPC1MAOBMAOACASP3
SCHEMBL31679666 0.81 NPC1 (0.62) RAB9ANPC1MAOBMAOACASP3
SCHEMBL120441 0.80 MAOB (0.68) RAB9ANPC1MAOBMAOACASP3
SCHEMBL118274 0.79 NPC1 (0.61) RAB9ANPC1MAOBMAOACASP3
SCHEMBL11886565 0.79 MAOB (0.60) RAB9ANPC1MAOBMAOACASP3
SCHEMBL31679662 0.78 NPC1 (0.67) RAB9ANPC1MAOBMAOACASP3

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
EP-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed