SCHEMBL7192058

SCHEMBL7192058

C=CCc1cc(CC=C)c(OC(=O)C(C)(C)C)c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OCCC

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ELANE P08246 1/20 0.41
DPP4 P27487 2/20 0.41

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
SCHEMBL7192062 1.00 PTPN1 (0.46) PTPN1ABCG2CYP1A1CYP1B1ELANE
SCHEMBL7186005 0.92 PTPN1 (0.52) PTPN1ABCG2CYP1A1CYP1B1ELANE
SCHEMBL7186007 0.92 PTPN1 (0.52) PTPN1ABCG2CYP1A1CYP1B1ELANE
SCHEMBL7191926 0.92 ABCG2 (0.48) PTPN1ABCG2CYP1A1CYP1B1ELANE
SCHEMBL7191927 0.92 ABCG2 (0.48) PTPN1ABCG2CYP1A1CYP1B1ELANE
SCHEMBL7185141 0.90 ABCG2 (0.47) PTPN1ABCG2CYP1A1CYP1B1ELANE
SCHEMBL7185138 0.90 ABCG2 (0.47) PTPN1ABCG2CYP1A1CYP1B1ELANE
SCHEMBL7191873 0.90 PTPN1 (0.44) PTPN1ABCG2CYP1A1CYP1B1ELANE
SCHEMBL7180127 0.89 ABCG2 (0.44) PTPN1ABCG2CYP1A1CYP1B1ELANE
SCHEMBL7180131 0.89 ABCG2 (0.44) PTPN1ABCG2CYP1A1CYP1B1ELANE

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