SCHEMBL7186399

SCHEMBL7186399

CCCc1cc(C=CC(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c(OC(C)C)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.43
DPP4 P27487 5/20 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
SCHEMBL7186396 1.00 PTPN1 (0.43) PTPN1DPP4
SCHEMBL7187204 0.97 PTPN1 (0.42) PTPN1DPP4
SCHEMBL7187216 0.97 PTPN1 (0.42) PTPN1DPP4
SCHEMBL9276150 0.91 PTPN1 (0.39) PTPN1DPP4
SCHEMBL7190807 0.91 PTPN1 (0.44) PTPN1DPP4
SCHEMBL7190800 0.91 PTPN1 (0.44) PTPN1DPP4
SCHEMBL7191114 0.89 PTPN1 (0.48) PTPN1DPP4
SCHEMBL7191109 0.89 PTPN1 (0.48) PTPN1DPP4
SCHEMBL7187914 0.88 PTPN1 (0.53) PTPN1
SCHEMBL7187911 0.88 PTPN1 (0.53) PTPN1

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