SCHEMBL7184561

SCHEMBL7184561

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.70
PTPN1 P18031 5/20 0.60
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FLT3 P36888 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL7184568 1.00 ABCG2 (0.70) ABCG2PTPN1MAOAMAOBKEAP1
SCHEMBL7186353 0.89 MAOB (0.54) ABCG2PTPN1MAOAMAOBKDM4E
SCHEMBL7182892 0.89 MAOB (0.54) ABCG2PTPN1MAOAMAOBKDM4E
SCHEMBL7191615 0.88 ABCG2 (0.52) ABCG2PTPN1MAOAMAOBKEAP1
SCHEMBL7803247 0.88 ABCG2 (0.52) ABCG2PTPN1MAOAMAOBKEAP1
SCHEMBL7185069 0.87 ABCG2 (0.51) ABCG2PTPN1MAOAMAOBKEAP1
SCHEMBL7179229 0.87 ABCG2 (0.52) ABCG2PTPN1MAOAMAOBMAPT
SCHEMBL7185078 0.87 ABCG2 (0.51) ABCG2PTPN1MAOAMAOBKEAP1
SCHEMBL7186727 0.87 ABCG2 (0.52) ABCG2PTPN1MAOAMAOB
SCHEMBL7185693 0.86 ALOX5 (0.65) ABCG2PTPN1MAOBKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US claimed
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
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
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