SCHEMBL7186353

SCHEMBL7186353

C=CCOc1ccc(C(=O)/C=C/c2c(OCC)cccc2OCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.54
MAOA P21397 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.53
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51
PTPN1 P18031 2/20 0.51
LMNA P02545 3/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 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
SCHEMBL7182892 1.00 MAOB (0.54) MAOBMAOAABCG2MAPTSMN1; SMN2
SCHEMBL7186727 0.91 ABCG2 (0.52) MAOBMAOAABCG2PTPN1
SCHEMBL7179229 0.91 ABCG2 (0.52) MAOBMAOAABCG2MAPTSMN1; SMN2
SCHEMBL7184561 0.89 ABCG2 (0.70) MAOBMAOAABCG2MAPTSMN1; SMN2
SCHEMBL7184568 0.89 ABCG2 (0.70) MAOBMAOAABCG2MAPTSMN1; SMN2
SCHEMBL7803247 0.87 ABCG2 (0.52) MAOBMAOAABCG2MAPTSMN1; SMN2
SCHEMBL7191615 0.87 ABCG2 (0.52) MAOBMAOAABCG2MAPTSMN1; SMN2
SCHEMBL7184658 0.86 MAPT (0.50) MAOBMAOAABCG2MAPTSMN1; SMN2
SCHEMBL7184662 0.86 MAPT (0.50) MAOBMAOAABCG2MAPTSMN1; SMN2
SCHEMBL7185069 0.86 ABCG2 (0.51) MAOBMAOAABCG2MAPTSMN1; SMN2

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 4 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