SCHEMBL7186340

SCHEMBL7186340

C=CCc1ccc(OC(C)(C)C)c(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.44
ELANE P08246 1/20 0.38
PPARA Q07869 1/20 0.36

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
SCHEMBL7186342 1.00 PTPN1 (0.44) PTPN1ELANEPPARA
SCHEMBL7180086 0.89 PTPN1 (0.50) PTPN1
SCHEMBL7180091 0.89 PTPN1 (0.50) PTPN1
SCHEMBL7186677 0.89 PTPN1 (0.46) PTPN1ELANE
SCHEMBL7186682 0.89 PTPN1 (0.46) PTPN1ELANE
SCHEMBL7184493 0.88 PTPN1 (0.49) PTPN1
SCHEMBL7184487 0.88 PTPN1 (0.49) PTPN1
SCHEMBL7179733 0.88 MAOB (0.38) PTPN1PPARA
SCHEMBL7179736 0.88 MAOB (0.38) PTPN1PPARA
SCHEMBL7178847 0.88 PTPN1 (0.54) PTPN1

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 4 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
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