SCHEMBL9203735

SCHEMBL9203735

CCOc1c(C(C)(C)C)cc(C(C)(C)C)c(OCOC(=O)C(C)(C)C)c1/C=C/C(=O)c1ccc(OCOC(=O)C(C)(C)C)cc1.CCOc1c(C(C)C)cc(C(C)C)c(OCOC(=O)C(C)(C)C)c1/C=C/C(=O)c1ccc(OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
DPP4 P27487 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TNFRSF1A P19438 1/20 0.37

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
SCHEMBL7186710 0.94 MAOB (0.44) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL7186717 0.94 MAOB (0.44) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL7189028 0.94 MAOB (0.45) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL7189038 0.94 MAOB (0.45) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL7178929 0.88 ABCG2 (0.43) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL7178923 0.88 ABCG2 (0.43) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL7191042 0.88 LMNA (0.45) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL7191033 0.88 LMNA (0.45) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL7183543 0.87 TNFRSF1A (0.39) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL7184872 0.87 MAPT (0.38) MAOBCYP1A1CYP1B1MAPTKDM4E

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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed