SCHEMBL9112971

SCHEMBL9112971

CCOc1ccc(C(=O)C=Cc2cc(OCC)cc(OCC)c2C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.56
MAOA P21397 1/20 0.56
CYP1A1 P04798 2/20 0.55
CYP1B1 Q16678 2/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
DPP4 P27487 2/20 0.54
MAPT P10636 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL9115056 0.94 CYP1A1 (0.54) MAOBMAOACYP1A1CYP1B1ABCG2
SCHEMBL9114050 0.94 MAOB (0.61) MAOBMAOACYP1A1CYP1B1ABCG2
SCHEMBL9114791 0.93 MAOB (0.59) MAOBMAOACYP1A1CYP1B1ABCG2
SCHEMBL9110872 0.93 PTPN1 (0.52) MAOBMAOACYP1A1CYP1B1ABCG2
SCHEMBL9113947 0.92 ABCG2 (0.54) MAOBMAOACYP1A1CYP1B1ABCG2
SCHEMBL9113361 0.92 CYP1A1 (0.54) MAOBMAOACYP1A1CYP1B1ABCG2
SCHEMBL9113608 0.90 MAOB (0.61) MAOBMAOACYP1A1CYP1B1ABCG2
SCHEMBL9113296 0.89 MAOB (0.53) MAOBMAOACYP1A1CYP1B1ABCG2
SCHEMBL9112357 0.88 CYP1A1 (0.57) MAOBMAOACYP1A1CYP1B1ABCG2
SCHEMBL9112594 0.87 MAOB (0.50) MAOBMAOACYP1A1CYP1B1ABCG2

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