SCHEMBL7185283

SCHEMBL7185283

C=C(C)Oc1ccc(C(=O)C=Cc2c(OCCCC)cccc2OCCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.51
BCHE P06276 10/20 0.49
ACHE P22303 8/20 0.48
DPP4 P27487 1/20 0.43
PTPN1 P18031 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7184047 0.95 ABCG2 (0.51) ABCG2BCHEACHEDPP4MAOA
SCHEMBL7182878 0.91 ABCG2 (0.53) ABCG2MAOAMAOBLMNAMAPT
SCHEMBL7182883 0.91 ABCG2 (0.53) ABCG2MAOAMAOBLMNAMAPT
SCHEMBL7192734 0.87 ABCG2 (0.46) ABCG2BCHEACHEDPP4PTPN1
SCHEMBL7191650 0.85 ABCG2 (0.51) ABCG2BCHEACHEDPP4PTPN1
SCHEMBL7184476 0.84 ABCG2 (0.64) ABCG2BCHEACHEDPP4PTPN1
SCHEMBL7806439 0.84 ABCG2 (0.74) ABCG2BCHEMAOAMAOBLMNA
SCHEMBL7806442 0.84 ABCG2 (0.74) ABCG2BCHEMAOAMAOBLMNA
SCHEMBL7192576 0.84 ABCG2 (0.43) ABCG2BCHEACHEDPP4PTPN1
SCHEMBL7186727 0.84 ABCG2 (0.52) ABCG2BCHEACHEDPP4PTPN1

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 5 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 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