SCHEMBL7191111

SCHEMBL7191111

CCOc1cc(OCC)c(C(C)(C)C)cc1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
PTPN1 P18031 8/20 0.44
DPP4 P27487 3/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
MAOB P27338 1/20 0.41
IDH1 O75874 1/20 0.41
ABCB1 P08183 1/20 0.41
UGT1A1 P22309 1/20 0.41
ABCC1 P33527 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL7191115 1.00 LMNA (0.46) LMNAMAPTATMSMN1; SMN2POLB
SCHEMBL7191249 0.91 DPP4 (0.45) LMNAMAPTATMSMN1; SMN2ABCG2
SCHEMBL7191145 0.90 PTPN1 (0.47) ABCG2PTPN1DPP4KEAP1NFE2L2
SCHEMBL9113156 0.87 DPP4 (0.56) LMNAMAPTSMN1; SMN2ALDH1A1ABCG2
SCHEMBL7192566 0.87 PTPN1 (0.57) LMNAMAPTATMSMN1; SMN2POLB
SCHEMBL7192570 0.87 PTPN1 (0.57) LMNAMAPTATMSMN1; SMN2POLB
SCHEMBL7191597 0.86 PTPN1 (0.48) LMNAMAPTATMSMN1; SMN2ABCG2
SCHEMBL7191595 0.86 PTPN1 (0.48) LMNAMAPTATMSMN1; SMN2ABCG2
SCHEMBL9113118 0.85 PTPN1 (0.61) LMNAMAPTSMN1; SMN2ALDH1A1ABCG2
SCHEMBL7184552 0.85 LMNA (0.50) LMNAMAPTATMSMN1; SMN2POLB

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