SCHEMBL7190378

SCHEMBL7190378

C=CCc1cc(CC=C)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 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.46
ELANE P08246 2/20 0.42

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
SCHEMBL7190380 1.00 PTPN1 (0.46) PTPN1ELANE
SCHEMBL9277695 0.91 PTPN1 (0.40) PTPN1ELANE
SCHEMBL9277691 0.91 PTPN1 (0.40) PTPN1ELANE
SCHEMBL7183316 0.91 ELANE (0.42) PTPN1ELANE
SCHEMBL7183322 0.91 ELANE (0.42) PTPN1ELANE
SCHEMBL7187482 0.89 PTPN1 (0.44) PTPN1ELANE
SCHEMBL7187487 0.89 PTPN1 (0.44) PTPN1ELANE
SCHEMBL7806429 0.89 ELANE (0.39) PTPN1ELANE
SCHEMBL7184443 0.89 ELANE (0.39) PTPN1ELANE
SCHEMBL7177693 0.89 PTPN1 (0.52) 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 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