SCHEMBL7183587

SCHEMBL7183587

C=CC(C)(C)c1cc(C(C)(C)C=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 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.48
ABCG2 Q9UNQ0 4/20 0.46
DPP4 P27487 4/20 0.46
IDH1 O75874 1/20 0.46
ABCB1 P08183 1/20 0.46
UGT1A1 P22309 1/20 0.46
ABCC1 P33527 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
ELANE P08246 3/20 0.39
PRTN3 P24158 1/20 0.39
MAOB P27338 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
SCHEMBL7183591 1.00 PTPN1 (0.48) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7183755 0.92 PTPN1 (0.50) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7183752 0.92 PTPN1 (0.50) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7187510 0.92 PTPN1 (0.54) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7804856 0.90 ABCG2 (0.47) PTPN1ABCG2DPP4CYP1A1CYP1B1
SCHEMBL7804855 0.90 ABCG2 (0.47) PTPN1ABCG2DPP4CYP1A1CYP1B1
SCHEMBL7192597 0.88 ABCG2 (0.46) PTPN1ABCG2DPP4CYP1A1CYP1B1
SCHEMBL7192600 0.88 ABCG2 (0.46) PTPN1ABCG2DPP4CYP1A1CYP1B1
SCHEMBL7192025 0.88 PTPN1 (0.51) PTPN1ABCG2DPP4IDH1ABCB1
SCHEMBL7192021 0.88 PTPN1 (0.51) PTPN1ABCG2DPP4IDH1ABCB1

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 3 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