SCHEMBL7186682

SCHEMBL7186682

C=CCc1ccc(OC(C)(C)C)c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.46
ELANE P08246 3/20 0.44

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
SCHEMBL7186677 1.00 PTPN1 (0.46) PTPN1ELANE
SCHEMBL7178843 0.90 PTPN1 (0.44) PTPN1
SCHEMBL7178840 0.90 PTPN1 (0.44) PTPN1
SCHEMBL7188202 0.89 PTPN1 (0.52) PTPN1
SCHEMBL7188192 0.89 PTPN1 (0.52) PTPN1
SCHEMBL7186342 0.89 PTPN1 (0.44) PTPN1ELANE
SCHEMBL7186340 0.89 PTPN1 (0.44) PTPN1ELANE
SCHEMBL7184247 0.88 PTPN1 (0.52) PTPN1ELANE
SCHEMBL7184253 0.88 PTPN1 (0.52) PTPN1ELANE
SCHEMBL7183868 0.87 ELANE (0.40) PTPN1ELANE

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