SCHEMBL7185965

SCHEMBL7185965

CCC(C)(C)c1cc(C(C)(C)CC)c(OC(C)C)c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.40
PTPN1 P18031 3/20 0.38
BCHE P06276 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAOB P27338 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
SCHEMBL7185970 1.00 ELANE (0.40) ELANEPTPN1BCHECYP1A1CYP1B1
SCHEMBL9277691 0.91 PTPN1 (0.40) ELANEPTPN1
SCHEMBL9277695 0.91 PTPN1 (0.40) ELANEPTPN1
SCHEMBL7177343 0.90 TNFRSF1A (0.43) ELANEPTPN1BCHEABCG2
SCHEMBL7177337 0.90 TNFRSF1A (0.43) ELANEPTPN1BCHEABCG2
SCHEMBL7187830 0.89 PTPN1 (0.43) ELANEPTPN1BCHEABCG2MAOB
SCHEMBL7187829 0.89 PTPN1 (0.43) ELANEPTPN1BCHEABCG2MAOB
SCHEMBL7184517 0.88 MAOB (0.44) ELANECYP1A1CYP1B1ABCG2MAOB
SCHEMBL7184524 0.88 MAOB (0.44) ELANECYP1A1CYP1B1ABCG2MAOB
SCHEMBL7183479 0.87 PTPN1 (0.40) ELANEPTPN1CYP1A1CYP1B1ABCG2

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