SCHEMBL7804192

SCHEMBL7804192

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.42
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL7804196 1.00 PTPN1 (0.42) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7184852 0.89 PTPN1 (0.51) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7184855 0.89 PTPN1 (0.51) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7192250 0.88 PTPN1 (0.43) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7192244 0.88 PTPN1 (0.43) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7187866 0.87 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DABCG2
SCHEMBL7187869 0.87 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DABCG2
SCHEMBL7186019 0.86 PTPN1 (0.42) PTPN1
SCHEMBL7179701 0.86 PTPN1 (0.46) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7186016 0.86 PTPN1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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