SCHEMBL7185855

SCHEMBL7185855

CCCOc1ccc(C)cc1C=CC(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
DPP4 P27487 3/20 0.48
CYP1A1 P04798 3/20 0.45
CYP1B1 Q16678 3/20 0.45
ABCG2 Q9UNQ0 3/20 0.44
PTPN1 P18031 1/20 0.43
CAPN1 P07384 1/20 0.43
ATM Q13315 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
AR P10275 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9200658 0.94 DPP4 (0.50) LMNAMAPTALDH1A1DPP4CYP1A1
SCHEMBL7192282 0.92 LMNA (0.58) LMNAMAPTALDH1A1DPP4CYP1A1
SCHEMBL7189298 0.87 DPP4 (0.47) LMNAMAPTALDH1A1DPP4CYP1A1
SCHEMBL7192579 0.87 DPP4 (0.47) LMNAMAPTALDH1A1DPP4CYP1A1
SCHEMBL7192307 0.86 MAPT (0.47) LMNAMAPTALDH1A1DPP4CYP1A1
SCHEMBL7190651 0.85 ABCG2 (0.61) LMNAMAPTALDH1A1ABCG2CAPN1
SCHEMBL7186672 0.85 CYP1A1 (0.50) LMNAMAPTDPP4CYP1A1CYP1B1
SCHEMBL7177412 0.85 DPP4 (0.46) LMNAMAPTALDH1A1DPP4CYP1A1
SCHEMBL9204757 0.84 MAPT (0.60) LMNAMAPTDPP4CYP1A1CYP1B1
SCHEMBL7187235 0.84 DPP4 (0.42) LMNAMAPTALDH1A1DPP4CYP1A1

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