SCHEMBL7192078

SCHEMBL7192078

CC=CCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OC(C)C)cc1OC(=O)C(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 0.40
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL7192075 1.00 PTPN1 (0.44) PTPN1ELANEABCG2
SCHEMBL7189995 0.90 PTPN1 (0.54) PTPN1ELANE
SCHEMBL7189990 0.90 PTPN1 (0.54) PTPN1ELANE
SCHEMBL7186054 0.90 PTPN1 (0.56) PTPN1ABCG2
SCHEMBL7186060 0.90 PTPN1 (0.56) PTPN1ABCG2
SCHEMBL7185773 0.89 PTPN1 (0.48) PTPN1ELANEABCG2
SCHEMBL7185767 0.89 PTPN1 (0.48) PTPN1ELANEABCG2
SCHEMBL7184263 0.88 PTPN1 (0.48) PTPN1
SCHEMBL7184260 0.88 PTPN1 (0.48) PTPN1
SCHEMBL7191877 0.87 PTPN1 (0.55) 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 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