SCHEMBL7186938

SCHEMBL7186938

CCCc1cc(/C=C/C(=O)c2ccc(NC)cc2)c(OC(C)C)cc1O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.50
DPP4 P27487 4/20 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
SCHEMBL7186943 1.00 PTPN1 (0.50) PTPN1DPP4
SCHEMBL9206699 0.98 PTPN1 (0.49) PTPN1DPP4
SCHEMBL9206690 0.98 PTPN1 (0.49) PTPN1DPP4
SCHEMBL7182408 0.93 PTPN1 (0.52) PTPN1DPP4
SCHEMBL7182403 0.93 PTPN1 (0.52) PTPN1DPP4
SCHEMBL7180110 0.92 ABCG2 (0.43) PTPN1DPP4
SCHEMBL7180107 0.92 ABCG2 (0.43) PTPN1DPP4
SCHEMBL7183297 0.89 PTPN1 (0.57) PTPN1DPP4
SCHEMBL7183301 0.89 PTPN1 (0.57) PTPN1DPP4
SCHEMBL7185666 0.89 PTPN1 (0.59) 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