SCHEMBL7181537

SCHEMBL7181537

C=C(C)Oc1ccc(C(=O)C=Cc2cc(CCC)c(OCCCC)cc2OCCCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.48
DPP4 P27487 3/20 0.48
ABCG2 Q9UNQ0 3/20 0.44
BCHE P06276 1/20 0.42

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
SCHEMBL7192550 0.96 DPP4 (0.48) PTPN1DPP4ABCG2
SCHEMBL7192132 0.93 PTPN1 (0.50) PTPN1DPP4ABCG2
SCHEMBL7192128 0.93 PTPN1 (0.50) PTPN1DPP4ABCG2
SCHEMBL7184105 0.90 PTPN1 (0.55) PTPN1DPP4
SCHEMBL7183553 0.88 PTPN1 (0.59) PTPN1DPP4ABCG2
SCHEMBL7190274 0.88 PTPN1 (0.50) PTPN1DPP4ABCG2BCHE
SCHEMBL7183548 0.88 PTPN1 (0.59) PTPN1DPP4ABCG2
SCHEMBL9113744 0.87 PTPN1 (0.57) PTPN1DPP4ABCG2BCHE
SCHEMBL9115302 0.87 PTPN1 (0.55) PTPN1DPP4ABCG2
SCHEMBL9110804 0.87 PTPN1 (0.57) PTPN1DPP4ABCG2

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