SCHEMBL7188844

SCHEMBL7188844

CC(C)Oc1c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc(C(C)C)c(OC(=O)C(C)(C)C)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.40
PTPN1 P18031 8/20 0.39
ABCG2 Q9UNQ0 2/20 0.37
ESR1 P03372 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
IDH1 O75874 1/20 0.36
ABCB1 P08183 1/20 0.36
UGT1A1 P22309 1/20 0.36
DPP4 P27487 1/20 0.36
ABCC1 P33527 1/20 0.36
PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL7188849 1.00 ELANE (0.40) ELANEPTPN1ABCG2ESR1CYP1A1
SCHEMBL7191564 0.91 PTPN1 (0.44) ELANEPTPN1ABCG2IDH1ABCB1
SCHEMBL7191566 0.91 PTPN1 (0.44) ELANEPTPN1ABCG2IDH1ABCB1
SCHEMBL7190078 0.89 PTPN1 (0.43) ELANEPTPN1ABCG2CYP1A1CYP1B1
SCHEMBL7190179 0.89 CYP1A1 (0.43) ELANEPTPN1ABCG2CYP1A1CYP1B1
SCHEMBL7190178 0.89 CYP1A1 (0.43) ELANEPTPN1ABCG2CYP1A1CYP1B1
SCHEMBL7184063 0.87 DPP4 (0.43) ELANEPTPN1ABCG2CYP1A1CYP1B1
SCHEMBL7184059 0.87 DPP4 (0.43) ELANEPTPN1ABCG2CYP1A1CYP1B1
SCHEMBL7185325 0.85 ELANE (0.43) ELANEPTPN1ABCG2ESR1
SCHEMBL7185322 0.85 ELANE (0.43) ELANEPTPN1ABCG2ESR1

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