SCHEMBL7184971

SCHEMBL7184971

CCCc1ccc(OC)c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 4/20 0.44
KRAS P01116 1/20 0.43
MAPK1 P28482 1/20 0.43
TNFRSF1A P19438 1/20 0.41
ELANE P08246 1/20 0.40
MAOA P21397 2/20 0.40
DPP4 P27487 3/20 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
SCHEMBL7184967 1.00 ABCG2 (0.45) ABCG2LMNAMAPTKDM4EALDH1A1
SCHEMBL7804178 0.88 KDM4E (0.46) ABCG2LMNAMAPTKDM4EALDH1A1
SCHEMBL7804176 0.88 KDM4E (0.46) ABCG2LMNAMAPTKDM4EALDH1A1
SCHEMBL7183865 0.88 ELANE (0.40) ABCG2PTPN1ELANEDPP4
SCHEMBL7183868 0.88 ELANE (0.40) ABCG2PTPN1ELANEDPP4
SCHEMBL7184822 0.88 PTPN1 (0.43) ABCG2LMNAMAPTKDM4EALDH1A1
SCHEMBL7184827 0.88 PTPN1 (0.43) ABCG2LMNAMAPTKDM4EALDH1A1
SCHEMBL7184100 0.88 KDM4E (0.43) ABCG2LMNAMAPTKDM4EALDH1A1
SCHEMBL7186171 0.87 MAOB (0.42) ABCG2LMNAMAPTKDM4EALDH1A1
SCHEMBL7186167 0.87 MAOB (0.42) ABCG2LMNAMAPTKDM4EALDH1A1

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