SCHEMBL7181384

SCHEMBL7181384

CC=CCc1ccc(OC)c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.53
CAPN1 P07384 1/20 0.52
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ATM Q13315 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN1 P18031 5/20 0.48
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 2/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL7184160 0.89 LMNA (0.47) ABCG2CAPN1LMNAMAPTATM
SCHEMBL7191611 0.89 PTPN1 (0.42) ABCG2CAPN1LMNAMAPTATM
SCHEMBL7185778 0.89 DPP4 (0.44) ABCG2CAPN1LMNAMAPTATM
SCHEMBL7186631 0.88 PTPN1 (0.59) ABCG2CAPN1LMNAMAPTATM
SCHEMBL7184726 0.86 ABCG2 (0.57) ABCG2CAPN1LMNAMAPTATM
SCHEMBL7190280 0.84 ABCG2 (0.55) ABCG2CAPN1LMNAMAPTATM
SCHEMBL9201577 0.82 ABCG2 (0.52) ABCG2CAPN1LMNAMAPTATM
SCHEMBL7190651 0.80 ABCG2 (0.61) ABCG2CAPN1LMNAMAPTATM
SCHEMBL9275370 0.79 PTPN1 (0.49) ABCG2CAPN1PTPN1
SCHEMBL7186606 0.77 PTPN1 (0.51) LMNAMAPTATMSMN1; SMN2PTPN1

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