SCHEMBL7183720

SCHEMBL7183720

CCCc1cc(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)c(OC(C)C)c(CCC)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 2/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
ABCG2 Q9UNQ0 3/20 0.34
THRB P10828 1/20 0.34
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
BCHE P06276 2/20 0.33
CHRNA7 P36544 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7190670 0.89 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7181421 0.89 LMNA (0.38) PTPN1ABCG2KEAP1NFE2L2BCHE
SCHEMBL7180028 0.88 MAPT (0.43) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7180355 0.87 MAPT (0.42) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7192313 0.83 MAPT (0.45) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7185054 0.81 PTPN1 (0.47) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7185050 0.81 PTPN1 (0.47) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7184621 0.78 CYP1A1 (0.41) MAPTABCG2BCHECHRNA7
SCHEMBL7184268 0.78 ALDH1A1 (0.37) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7184272 0.78 ALDH1A1 (0.37) ALDH1A1MAPTNPC1RAB9AKMT2A

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