SCHEMBL7186274

SCHEMBL7186274

CCCOc1cc(O)c(CCC)cc1C=CC(=O)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.58
DPP4 P27487 6/20 0.55
ABCG2 Q9UNQ0 2/20 0.54
CAPN1 P07384 1/20 0.51
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRNA7 P36544 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
SCHEMBL7186271 1.00 PTPN1 (0.58) PTPN1DPP4ABCG2CAPN1CTSL
SCHEMBL7186254 0.93 PTPN1 (0.60) PTPN1DPP4ABCG2CAPN1CTSL
SCHEMBL7186258 0.93 PTPN1 (0.60) PTPN1DPP4ABCG2CAPN1CTSL
SCHEMBL7188883 0.92 ABCG2 (0.55) PTPN1DPP4ABCG2CAPN1CTSL
SCHEMBL7186287 0.92 PTPN1 (0.59) PTPN1DPP4ABCG2CAPN1CTSL
SCHEMBL7186282 0.92 PTPN1 (0.59) PTPN1DPP4ABCG2CAPN1CTSL
SCHEMBL7184454 0.91 PTPN1 (0.54) PTPN1DPP4CTSLCTSB
SCHEMBL7184456 0.91 PTPN1 (0.54) PTPN1DPP4CTSLCTSB
SCHEMBL7187745 0.89 DPP4 (0.52) PTPN1DPP4
SCHEMBL7187741 0.89 DPP4 (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 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