SCHEMBL7192526

SCHEMBL7192526

C=CCc1cc(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)c(OCCCC)cc1OCCCC

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.53
DPP4 P27487 1/20 0.46

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
SCHEMBL7189251 0.95 PTPN1 (0.52) PTPN1
SCHEMBL7189620 0.91 PTPN1 (0.58) PTPN1
SCHEMBL7189624 0.91 PTPN1 (0.58) PTPN1
SCHEMBL7184632 0.89 PTPN1 (0.64) PTPN1DPP4
SCHEMBL7186182 0.89 PTPN1 (0.48) PTPN1DPP4
SCHEMBL9113276 0.88 PTPN1 (0.67) PTPN1DPP4
SCHEMBL7178675 0.88 PTPN1 (0.55) PTPN1DPP4
SCHEMBL9113976 0.88 PTPN1 (0.68) PTPN1DPP4
SCHEMBL9114058 0.88 PTPN1 (0.60) PTPN1DPP4
SCHEMBL7180456 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 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