SCHEMBL7803247

SCHEMBL7803247

C=CCOc1ccc(C(=O)/C=C/c2c(OC(C)(C)C)cccc2OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.52
PTPN1 P18031 2/20 0.50
MAOB P27338 4/20 0.44
MAOA P21397 2/20 0.44
PPARA Q07869 2/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
PPARG P37231 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7191615 1.00 ABCG2 (0.52) ABCG2PTPN1MAOBMAOAPPARA
SCHEMBL7184561 0.88 ABCG2 (0.70) ABCG2PTPN1MAOBMAOAMAPT
SCHEMBL7184568 0.88 ABCG2 (0.70) ABCG2PTPN1MAOBMAOAMAPT
SCHEMBL7186353 0.87 MAOB (0.54) ABCG2PTPN1MAOBMAOANPC1
SCHEMBL7182892 0.87 MAOB (0.54) ABCG2PTPN1MAOBMAOANPC1
SCHEMBL7184890 0.86 ABCG2 (0.45) ABCG2PTPN1MAOBMAOAPPARA
SCHEMBL7184897 0.86 ABCG2 (0.45) ABCG2PTPN1MAOBMAOAPPARA
SCHEMBL7177696 0.85 PTPN1 (0.46) ABCG2PTPN1MAOBMAOAPPARA
SCHEMBL7186397 0.85 PTPN1 (0.46) ABCG2PTPN1MAOBMAOAPPARA
SCHEMBL7185069 0.85 ABCG2 (0.51) ABCG2PTPN1MAOBMAOACHRNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP claimed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP claimed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO claimed