SCHEMBL7184643

SCHEMBL7184643

CCCOc1ccc(C)c(OCCC)c1C=CC(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.47
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
DPP4 P27487 3/20 0.42
ELANE P08246 5/20 0.41
MAOB P27338 2/20 0.39
PRTN3 P24158 1/20 0.39
PTPN1 P18031 1/20 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

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
SCHEMBL7189154 0.96 ABCG2 (0.47) ABCG2CYP1A1CYP1B1DPP4ELANE
SCHEMBL7182789 0.90 ABCG2 (0.46) ABCG2CYP1A1CYP1B1DPP4ELANE
SCHEMBL7192260 0.89 MAOB (0.46) ABCG2CYP1A1CYP1B1ELANEMAOB
SCHEMBL7192262 0.89 MAOB (0.46) ABCG2CYP1A1CYP1B1ELANEMAOB
SCHEMBL7192270 0.89 ABCG2 (0.45) ABCG2CYP1A1CYP1B1DPP4ELANE
SCHEMBL7182546 0.89 ABCG2 (0.45) ABCG2CYP1A1CYP1B1DPP4MAOB
SCHEMBL7185433 0.87 ABCG2 (0.49) ABCG2CYP1A1CYP1B1DPP4ELANE
SCHEMBL7185429 0.87 ABCG2 (0.49) ABCG2CYP1A1CYP1B1DPP4ELANE
SCHEMBL7177775 0.87 ABCG2 (0.51) ABCG2CYP1A1CYP1B1DPP4ELANE
SCHEMBL7191873 0.86 PTPN1 (0.44) ABCG2CYP1A1CYP1B1DPP4ELANE

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