SCHEMBL7186637

SCHEMBL7186637

CCOc1c(C(C)C)cc(C(C)C)c(OC(=O)C(C)(C)C)c1/C=C/C(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 1/20 0.43
ELANE P08246 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL7186643 1.00 MAOB (0.45) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7191493 0.93 ABCG2 (0.46) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7191491 0.93 ABCG2 (0.46) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7188991 0.89 ABCG2 (0.44) ABCG2MAPTKDM4ELMNAALDH1A1
SCHEMBL7188986 0.89 ABCG2 (0.44) ABCG2MAPTKDM4ELMNAALDH1A1
SCHEMBL7185322 0.88 ELANE (0.43) ABCG2MAPTLMNAELANE
SCHEMBL7185325 0.88 ELANE (0.43) ABCG2MAPTLMNAELANE
SCHEMBL7186710 0.87 MAOB (0.44) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7186717 0.87 MAOB (0.44) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7190178 0.86 CYP1A1 (0.43) MAOBABCG2CYP1A1CYP1B1MAPT

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 5 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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed