SCHEMBL7187253

SCHEMBL7187253

CCc1cc(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)c(OC)cc1C(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.56
PTPN1 P18031 10/20 0.53
DPP4 P27487 6/20 0.50
CAPN1 P07384 1/20 0.49
SNCA P37840 1/20 0.49
TNFRSF1A P19438 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL7187255 1.00 ABCG2 (0.56) ABCG2PTPN1DPP4CAPN1SNCA
SCHEMBL7186256 0.92 ABCG2 (0.53) ABCG2PTPN1DPP4CAPN1SNCA
SCHEMBL7186253 0.92 ABCG2 (0.53) ABCG2PTPN1DPP4CAPN1SNCA
SCHEMBL7179754 0.87 ABCG2 (0.60) ABCG2PTPN1DPP4CAPN1SNCA
SCHEMBL7179752 0.87 ABCG2 (0.60) ABCG2PTPN1DPP4CAPN1SNCA
SCHEMBL7180245 0.85 ABCG2 (0.59) ABCG2PTPN1DPP4CAPN1SNCA
SCHEMBL7180253 0.85 ABCG2 (0.59) ABCG2PTPN1DPP4CAPN1SNCA
SCHEMBL7180074 0.84 ABCG2 (0.56) ABCG2PTPN1DPP4CAPN1SNCA
SCHEMBL7802558 0.84 ABCG2 (0.56) ABCG2PTPN1DPP4CAPN1SNCA
SCHEMBL7192248 0.83 ABCG2 (0.55) ABCG2PTPN1DPP4CAPN1SNCA

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