SCHEMBL7185778

SCHEMBL7185778

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.44
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
PTPN1 P18031 2/20 0.40
PTGER3 P43115 1/20 0.39
CAPN1 P07384 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
AR P10275 1/20 0.37

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 0.93 LMNA (0.47) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7185914 0.89 PTPN1 (0.46) DPP4CYP1A1CYP1B1PTPN1MAPT
SCHEMBL7181384 0.89 ABCG2 (0.53) ABCG2PTPN1CAPN1LMNAMAPT
SCHEMBL7189298 0.88 DPP4 (0.47) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7192307 0.87 MAPT (0.47) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7191611 0.86 PTPN1 (0.42) ABCG2PTPN1CAPN1LMNAMAPT
SCHEMBL9197571 0.84 PTPN1 (0.47) DPP4ABCG2PTPN1MAPT
SCHEMBL7185855 0.83 LMNA (0.49) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9202989 0.82 DPP4 (0.48) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL7186606 0.81 PTPN1 (0.51) DPP4PTPN1LMNAMAPTATM

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