SCHEMBL7189316

SCHEMBL7189316

CC=CCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCCC)cc1O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.49
DPP4 P27487 3/20 0.48

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
SCHEMBL7189313 1.00 PTPN1 (0.49) PTPN1DPP4
SCHEMBL7178802 0.92 PTPN1 (0.56) PTPN1DPP4
SCHEMBL7178805 0.92 PTPN1 (0.56) PTPN1DPP4
SCHEMBL7180751 0.90 PTPN1 (0.60) PTPN1DPP4
SCHEMBL7180747 0.90 PTPN1 (0.60) PTPN1DPP4
SCHEMBL7177441 0.90 DPP4 (0.53) PTPN1DPP4
SCHEMBL7177446 0.90 DPP4 (0.53) PTPN1DPP4
SCHEMBL7184345 0.89 PTPN1 (0.62) PTPN1
SCHEMBL7184349 0.89 PTPN1 (0.62) PTPN1
SCHEMBL7190119 0.89 PTPN1 (0.52) 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 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