SCHEMBL7180201

SCHEMBL7180201

CCOc1ccc(C(C)C)cc1C=CC(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
DPP4 P27487 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CXCL12 P48061 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CAPN1 P07384 1/20 0.42
MAOB P27338 1/20 0.41
PTPN1 P18031 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 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
SCHEMBL7177412 0.92 DPP4 (0.46) LMNAMAPTSMN1; SMN2ATMALDH1A1
SCHEMBL9206831 0.92 MAPT (0.43) LMNAMAPTSMN1; SMN2ATMALDH1A1
SCHEMBL7188033 0.87 ABCG2 (0.57) LMNAMAPTSMN1; SMN2ATMALDH1A1
SCHEMBL7177356 0.86 ABCG2 (0.44) LMNAMAPTSMN1; SMN2ATMABCG2
SCHEMBL7192282 0.85 LMNA (0.58) LMNAMAPTSMN1; SMN2ATMALDH1A1
SCHEMBL7184382 0.84 LMNA (0.51) LMNAMAPTSMN1; SMN2ATMALDH1A1
SCHEMBL7182854 0.83 PTGS1 (0.41) LMNAMAPTSMN1; SMN2ATMALDH1A1
SCHEMBL7179055 0.82 LMNA (0.49) LMNAMAPTSMN1; SMN2ATMALDH1A1
SCHEMBL7184649 0.82 MAPT (0.49) LMNAMAPTSMN1; SMN2ATMALDH1A1
SCHEMBL9203891 0.81 MAPT (0.73) LMNAMAPTSMN1; SMN2ATMALDH1A1

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