SCHEMBL7180355

SCHEMBL7180355

CCCOc1c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)cc(CCC)cc1CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 3/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
PTPN1 P18031 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
LMNA P02545 3/20 0.35
MAOB P27338 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL7180028 0.93 MAPT (0.43) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL7190670 0.89 ALDH1A1 (0.43) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL7184448 0.89 ABCG2 (0.44) MAPTDPP4ABCG2CYP1A1CYP1B1
SCHEMBL7183720 0.87 ALDH1A1 (0.41) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL7192307 0.84 MAPT (0.47) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL7187235 0.82 DPP4 (0.42) MAPTALDH1A1DPP4ABCG2CYP1A1
SCHEMBL7184828 0.81 DPP4 (0.46) MAPTDPP4ABCG2CYP1A1CYP1B1
SCHEMBL7181126 0.81 MAOB (0.46) MAPTALDH1A1DPP4ABCG2CYP1A1
SCHEMBL9202989 0.79 DPP4 (0.48) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL7189298 0.78 DPP4 (0.47) MAPTALDH1A1DPP4ABCG2CYP1A1

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