SCHEMBL7185829

SCHEMBL7185829

CCCc1cc(CCC)c(OC(C)C)c(C=CC(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OCOC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 3/20 0.36
PPARA Q07869 2/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
PPARG P37231 1/20 0.36
MAOB P27338 5/20 0.35
MAOA P21397 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
DPP4 P27487 3/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL7185823 1.00 KDM4E (0.36) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7189292 0.94 MAOB (0.38) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7189287 0.94 MAOB (0.38) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7185627 0.91 MAOB (0.43) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7185618 0.91 MAOB (0.43) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7186841 0.90 ABCG2 (0.44) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7186849 0.90 ABCG2 (0.44) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7180043 0.90 KDM4E (0.44) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7180035 0.90 KDM4E (0.44) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7180260 0.89 PTPN1 (0.43) PPARAPTPN1

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