SCHEMBL7189568

SCHEMBL7189568

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOA P21397 1/20 0.44
ELANE P08246 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7189570 1.00 MAOB (0.46) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7179218 0.93 MAOB (0.44) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7179213 0.93 MAOB (0.44) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7186007 0.92 PTPN1 (0.52) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7186005 0.92 PTPN1 (0.52) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7191926 0.91 ABCG2 (0.48) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7191927 0.91 ABCG2 (0.48) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7178939 0.91 MAOB (0.42) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7178934 0.91 MAOB (0.42) MAOBABCG2CYP1A1CYP1B1MAPT
SCHEMBL7184593 0.90 MAPT (0.46) MAOBABCG2MAPTKDM4ELMNA

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