SCHEMBL7184263

SCHEMBL7184263

CC=CCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OCC)cc1OC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.48
DPP4 P27487 2/20 0.45
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 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
SCHEMBL7184260 1.00 PTPN1 (0.48) PTPN1DPP4CYP1A1CYP1B1
SCHEMBL9207698 0.96 PTPN1 (0.56) PTPN1
SCHEMBL9207691 0.96 PTPN1 (0.56) PTPN1
SCHEMBL7178884 0.93 DPP4 (0.46) PTPN1DPP4CYP1A1CYP1B1
SCHEMBL7178881 0.93 DPP4 (0.46) PTPN1DPP4CYP1A1CYP1B1
SCHEMBL7183889 0.91 PTPN1 (0.52) PTPN1DPP4CYP1A1CYP1B1
SCHEMBL7183885 0.91 PTPN1 (0.52) PTPN1DPP4CYP1A1CYP1B1
SCHEMBL7186054 0.90 PTPN1 (0.56) PTPN1DPP4
SCHEMBL7186060 0.90 PTPN1 (0.56) PTPN1DPP4
SCHEMBL7191271 0.90 PTPN1 (0.61) 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