SCHEMBL7184852

SCHEMBL7184852

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.51
CAPN1 P07384 1/20 0.44
MAOB P27338 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL7184855 1.00 PTPN1 (0.51) PTPN1CAPN1MAOBPDE4APDE4B
SCHEMBL7192250 0.90 PTPN1 (0.43) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7192244 0.90 PTPN1 (0.43) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7804196 0.89 PTPN1 (0.42) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7804192 0.89 PTPN1 (0.42) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7179696 0.89 PTPN1 (0.46) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7179701 0.89 PTPN1 (0.46) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7179222 0.88 PTPN1 (0.53) PTPN1
SCHEMBL7179219 0.88 PTPN1 (0.53) PTPN1
SCHEMBL7187487 0.87 PTPN1 (0.44) 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