SCHEMBL7185726

SCHEMBL7185726

CCC(C)(C)c1cc(C=CC(=O)c2ccc(NC)cc2)c(OC)cc1O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.59
PTPN1 P18031 9/20 0.59
ABCG2 Q9UNQ0 2/20 0.59
IDH1 O75874 1/20 0.59
ABCB1 P08183 1/20 0.59
UGT1A1 P22309 1/20 0.59
ABCC1 P33527 1/20 0.59
PRMT6 Q96LA8 1/20 0.59
SNCA P37840 1/20 0.50
CYP1A1 P04798 2/20 0.49
CYP1B1 Q16678 2/20 0.49

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
SCHEMBL7185721 1.00 DPP4 (0.59) DPP4PTPN1ABCG2IDH1ABCB1
SCHEMBL7184459 0.91 PTPN1 (0.48) DPP4PTPN1ABCG2IDH1ABCB1
SCHEMBL7184461 0.91 PTPN1 (0.48) DPP4PTPN1ABCG2IDH1ABCB1
SCHEMBL7183877 0.89 PTPN1 (0.63) DPP4PTPN1ABCG2IDH1ABCB1
SCHEMBL7178609 0.89 PTPN1 (0.72) DPP4PTPN1ABCG2IDH1ABCB1
SCHEMBL7183879 0.89 PTPN1 (0.63) DPP4PTPN1ABCG2IDH1ABCB1
SCHEMBL7178611 0.89 PTPN1 (0.72) DPP4PTPN1ABCG2IDH1ABCB1
SCHEMBL7186076 0.89 PTPN1 (0.46) DPP4PTPN1ABCG2IDH1ABCB1
SCHEMBL7186059 0.89 DPP4 (0.49) DPP4PTPN1ABCG2IDH1ABCB1
SCHEMBL7186071 0.89 PTPN1 (0.46) DPP4PTPN1ABCG2IDH1ABCB1

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