SCHEMBL7186016

SCHEMBL7186016

C=CCc1cc(CC=C)c(OC(C)C)c(/C=C/C(=O)c2ccc(NC)cc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.42
CYP3A4 P08684 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
SCHEMBL7186019 1.00 PTPN1 (0.42) PTPN1CYP3A4
SCHEMBL7185047 0.89 PTPN1 (0.52) PTPN1
SCHEMBL7185052 0.89 PTPN1 (0.52) PTPN1
SCHEMBL7184399 0.89 CYP3A4 (0.36) PTPN1CYP3A4
SCHEMBL7184394 0.89 CYP3A4 (0.36) PTPN1CYP3A4
SCHEMBL7186120 0.89 CYP3A4 (0.38) CYP3A4
SCHEMBL7186117 0.89 CYP3A4 (0.38) CYP3A4
SCHEMBL7177640 0.89 PTPN1 (0.48) PTPN1
SCHEMBL7177634 0.89 PTPN1 (0.48) PTPN1
SCHEMBL7188881 0.88 PTPN1 (0.43) 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 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