SCHEMBL7182408

SCHEMBL7182408

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

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.52
DPP4 P27487 4/20 0.43

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
SCHEMBL7182403 1.00 PTPN1 (0.52) PTPN1DPP4
SCHEMBL9206699 0.95 PTPN1 (0.49) PTPN1DPP4
SCHEMBL9206690 0.95 PTPN1 (0.49) PTPN1DPP4
SCHEMBL7186943 0.93 PTPN1 (0.50) PTPN1DPP4
SCHEMBL7186938 0.93 PTPN1 (0.50) PTPN1DPP4
SCHEMBL7183995 0.90 PTPN1 (0.66) PTPN1
SCHEMBL7183998 0.90 PTPN1 (0.66) PTPN1
SCHEMBL7182587 0.89 PTPN1 (0.53) PTPN1
SCHEMBL7182583 0.89 PTPN1 (0.53) PTPN1
SCHEMBL7187201 0.89 PTPN1 (0.60) 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