SCHEMBL7180765

SCHEMBL7180765

Cc1ccc(OC(C)(C)C)c(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
MAOB P27338 8/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 3/20 0.37
MAOA P21397 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PPARG P37231 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL7180770 1.00 PPARA (0.39) PPARAMAOBKDM4ELMNAMAPT
SCHEMBL7182356 0.89 PPARA (0.39) PPARAMAOBKDM4ELMNAMAPT
SCHEMBL7182353 0.89 PPARA (0.39) PPARAMAOBKDM4ELMNAMAPT
SCHEMBL7189166 0.88 MAOB (0.46) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7189162 0.88 MAOB (0.46) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7186101 0.88 KDM4E (0.47) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7186107 0.88 KDM4E (0.47) MAOBKDM4ELMNAMAPTALDH1A1
SCHEMBL7179733 0.86 MAOB (0.38) PPARAMAOBKDM4ELMNAMAPT
SCHEMBL7179736 0.86 MAOB (0.38) PPARAMAOBKDM4ELMNAMAPT
SCHEMBL7183873 0.86 ELANE (0.45) KDM4ELMNAMAPTSMN1; SMN2ABCG2

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