SCHEMBL7180751

SCHEMBL7180751

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.60
DPP4 P27487 4/20 0.52
ABCG2 Q9UNQ0 1/20 0.50
CAPN1 P07384 1/20 0.47

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
SCHEMBL7180747 1.00 PTPN1 (0.60) PTPN1DPP4ABCG2CAPN1
SCHEMBL7190125 0.93 PTPN1 (0.52) PTPN1DPP4
SCHEMBL7190119 0.93 PTPN1 (0.52) PTPN1DPP4
SCHEMBL7189541 0.92 PTPN1 (0.62) PTPN1DPP4CAPN1
SCHEMBL7189544 0.92 PTPN1 (0.62) PTPN1DPP4CAPN1
SCHEMBL7189313 0.90 PTPN1 (0.49) PTPN1DPP4
SCHEMBL7189316 0.90 PTPN1 (0.49) PTPN1DPP4
SCHEMBL7186258 0.89 PTPN1 (0.60) PTPN1DPP4ABCG2CAPN1
SCHEMBL7186254 0.89 PTPN1 (0.60) PTPN1DPP4ABCG2CAPN1
SCHEMBL7191546 0.88 PTPN1 (0.77) PTPN1

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