SCHEMBL7183873

SCHEMBL7183873

Cc1ccc(OC(C)(C)C)c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.45
ABCG2 Q9UNQ0 3/20 0.40
PTPN1 P18031 2/20 0.39
BCHE P06276 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7795817 1.00 ELANE (0.45) ELANEABCG2PTPN1BCHEKDM4E
SCHEMBL7177689 0.88 PTPN1 (0.39) ABCG2PTPN1KDM4ELMNAMAPT
SCHEMBL7177685 0.88 PTPN1 (0.39) ABCG2PTPN1KDM4ELMNAMAPT
SCHEMBL7187941 0.88 ELANE (0.44) ELANEABCG2PTPN1BCHE
SCHEMBL7187938 0.88 ELANE (0.44) ELANEABCG2PTPN1BCHE
SCHEMBL7190943 0.87 CAPN1 (0.47) ABCG2MAPT
SCHEMBL7190940 0.87 CAPN1 (0.47) ABCG2MAPT
SCHEMBL7178665 0.86 ABCG2 (0.50) ELANEABCG2PTPN1KDM4ELMNA
SCHEMBL7178670 0.86 ABCG2 (0.50) ELANEABCG2PTPN1KDM4ELMNA
SCHEMBL7180765 0.86 PPARA (0.39) ABCG2PTPN1KDM4ELMNAMAPT

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