SCHEMBL7181126

SCHEMBL7181126

CCOc1c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)cc(CC)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
LMNA P02545 4/20 0.43
POLB P06746 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAOA P21397 1/20 0.40
DPP4 P27487 2/20 0.40
PTPN1 P18031 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
SCHEMBL7184448 0.91 ABCG2 (0.44) MAOBLMNAPOLBMAPTSMN1; SMN2
SCHEMBL7177307 0.90 ABCG2 (0.45) MAOBLMNAMAPTSMN1; SMN2ABCG2
SCHEMBL7180028 0.88 MAPT (0.43) MAOBLMNAPOLBPTGS1MAPT
SCHEMBL7181421 0.87 LMNA (0.38) MAOBLMNAPOLBABCG2KEAP1
SCHEMBL8334182 0.84 MAPT (0.49) MAOBLMNAPTGS1MAPTSMN1; SMN2
SCHEMBL7184382 0.83 LMNA (0.51) MAOBLMNAPOLBMAPTSMN1; SMN2
SCHEMBL7180355 0.81 MAPT (0.42) MAOBLMNAPOLBMAPTSMN1; SMN2
SCHEMBL7185139 0.81 LMNA (0.47) MAOBLMNAPOLBPTGS1MAPT
SCHEMBL7182854 0.78 PTGS1 (0.41) MAOBLMNAPOLBPTGS1MAPT
SCHEMBL7190670 0.78 ALDH1A1 (0.43) LMNAMAPTSMN1; SMN2ABCG2ALDH1A1

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