SCHEMBL7184550

SCHEMBL7184550

CCOc1cc(OCC)c(/C=C/C(=O)c2ccc(C(=O)N(C)C)cc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
POLB P06746 1/20 0.47
DPP4 P27487 2/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MAOB P27338 3/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
PTPN1 P18031 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOA P21397 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
SCHEMBL7184552 1.00 LMNA (0.50) LMNAMAPTALDH1A1SMN1; SMN2ATM
SCHEMBL7192579 0.91 DPP4 (0.47) LMNAMAPTALDH1A1SMN1; SMN2ATM
SCHEMBL7183936 0.90 DPP4 (0.49) LMNAMAPTSMN1; SMN2ATMABCG2
SCHEMBL7191059 0.86 CAPN1 (0.56) LMNAMAPTSMN1; SMN2ATMABCG2
SCHEMBL7191057 0.86 CAPN1 (0.56) LMNAMAPTSMN1; SMN2ATMABCG2
SCHEMBL9113757 0.86 DPP4 (0.60) LMNAMAPTALDH1A1SMN1; SMN2ATM
SCHEMBL7192282 0.86 LMNA (0.58) LMNAMAPTALDH1A1SMN1; SMN2ATM
SCHEMBL7191596 0.85 MAPT (0.51) LMNAMAPTALDH1A1SMN1; SMN2ATM
SCHEMBL7191601 0.85 MAPT (0.51) LMNAMAPTALDH1A1SMN1; SMN2ATM
SCHEMBL7191111 0.85 LMNA (0.46) LMNAMAPTALDH1A1SMN1; SMN2ATM

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