SCHEMBL7192579

SCHEMBL7192579

CCCOc1cc(OCCC)c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
ABCG2 Q9UNQ0 3/20 0.46
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
PTPN1 P18031 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
AR P10275 1/20 0.40
CAPN1 P07384 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7183936 0.94 DPP4 (0.49) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7184550 0.91 LMNA (0.50) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7184552 0.91 LMNA (0.50) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7185855 0.87 LMNA (0.49) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7180998 0.87 ABCG2 (0.57) DPP4ABCG2PTPN1CAPN1
SCHEMBL9111754 0.87 DPP4 (0.61) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7184828 0.87 DPP4 (0.46) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7182974 0.86 DPP4 (0.49) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL7191249 0.86 DPP4 (0.45) DPP4ABCG2CYP1A1CYP1B1PTPN1
SCHEMBL9113194 0.85 DPP4 (0.59) DPP4ABCG2CYP1A1CYP1B1PTPN1

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