SCHEMBL7183784

SCHEMBL7183784

C=CCOc1ccc(C(=O)C=Cc2c(OCCCC)ccc(C)c2OCCCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.48
PTPN1 P18031 4/20 0.46
BCHE P06276 6/20 0.43
DPP4 P27487 1/20 0.43
ACHE P22303 4/20 0.43
MAOB P27338 2/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.40

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
SCHEMBL7191602 0.96 ABCG2 (0.48) ABCG2PTPN1BCHEDPP4ACHE
SCHEMBL7184658 0.89 MAPT (0.50) ABCG2PTPN1MAOBMAPTKDM4E
SCHEMBL7184662 0.89 MAPT (0.50) ABCG2PTPN1MAOBMAPTKDM4E
SCHEMBL7191607 0.89 PTPN1 (0.53) ABCG2PTPN1BCHEDPP4ACHE
SCHEMBL7184195 0.89 PTPN1 (0.46) ABCG2PTPN1BCHEDPP4ACHE
SCHEMBL7177781 0.88 PTPN1 (0.46) ABCG2PTPN1BCHEDPP4ACHE
SCHEMBL7186727 0.87 ABCG2 (0.52) ABCG2PTPN1BCHEDPP4ACHE
SCHEMBL7186152 0.85 ABCG2 (0.59) ABCG2PTPN1BCHEDPP4MAOB
SCHEMBL7192734 0.85 ABCG2 (0.46) ABCG2PTPN1BCHEDPP4ACHE
SCHEMBL9111861 0.85 PTPN1 (0.51) ABCG2PTPN1BCHEDPP4ACHE

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