SCHEMBL9115243

SCHEMBL9115243

CCOc1ccc(C(=O)C=Cc2ccc(OCC)cc2OCC)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.69
CYP1B1 Q16678 2/20 0.69
MAOB P27338 8/20 0.60
MAOA P21397 1/20 0.60
TNFRSF1A P19438 1/20 0.60
DPP4 P27487 2/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.59
ATM Q13315 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL9115237 1.00 CYP1A1 (0.69) CYP1A1CYP1B1MAOBMAOATNFRSF1A
SCHEMBL9115370 0.94 CYP1A1 (0.66) CYP1A1CYP1B1MAOBMAOATNFRSF1A
SCHEMBL7177114 0.93 MAOB (0.66) CYP1A1CYP1B1MAOBMAOATNFRSF1A
SCHEMBL9115417 0.93 CYP1A1 (0.71) CYP1A1CYP1B1MAOBTNFRSF1ADPP4
SCHEMBL7177119 0.93 MAOB (0.66) CYP1A1CYP1B1MAOBMAOATNFRSF1A
SCHEMBL9115423 0.93 CYP1A1 (0.71) CYP1A1CYP1B1MAOBTNFRSF1ADPP4
SCHEMBL7179904 0.92 CYP1A1 (0.64) CYP1A1CYP1B1MAOBMAOATNFRSF1A
SCHEMBL7179900 0.92 CYP1A1 (0.64) CYP1A1CYP1B1MAOBMAOATNFRSF1A
SCHEMBL7802506 0.92 CYP1A1 (0.60) CYP1A1CYP1B1MAOBMAOATNFRSF1A
SCHEMBL7184786 0.92 CYP1A1 (0.60) CYP1A1CYP1B1MAOBMAOATNFRSF1A

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed