SCHEMBL7183436

SCHEMBL7183436

C=CCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCCC)cc1OCCC

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.52
DPP4 P27487 1/20 0.44

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
SCHEMBL7184235 0.95 PTPN1 (0.53) PTPN1DPP4
SCHEMBL7184349 0.92 PTPN1 (0.62) PTPN1
SCHEMBL7184345 0.92 PTPN1 (0.62) PTPN1
SCHEMBL7186536 0.92 PTPN1 (0.58) PTPN1
SCHEMBL7186539 0.92 PTPN1 (0.58) PTPN1
SCHEMBL7190248 0.89 PTPN1 (0.65) PTPN1
SCHEMBL7191428 0.89 DPP4 (0.46) PTPN1DPP4
SCHEMBL9113866 0.89 PTPN1 (0.62) PTPN1DPP4
SCHEMBL7189303 0.88 PTPN1 (0.53) PTPN1DPP4
SCHEMBL9114686 0.87 PTPN1 (0.67) PTPN1DPP4

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