SCHEMBL7802585

SCHEMBL7802585

C=CCc1cc(CC=C)c(OCOC(=O)C(C)(C)C)c(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OCCC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.46
ABCG2 Q9UNQ0 2/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
DPP4 P27487 2/20 0.41

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
SCHEMBL7802591 1.00 PTPN1 (0.46) PTPN1ABCG2CYP1A1CYP1B1DPP4
SCHEMBL7183999 0.93 PTPN1 (0.52) PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL7183992 0.93 PTPN1 (0.52) PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL7184083 0.92 ABCG2 (0.46) PTPN1ABCG2CYP1A1CYP1B1DPP4
SCHEMBL7184095 0.92 ABCG2 (0.46) PTPN1ABCG2CYP1A1CYP1B1DPP4
SCHEMBL7182365 0.91 PTPN1 (0.49) PTPN1
SCHEMBL7186841 0.91 ABCG2 (0.44) PTPN1ABCG2CYP1A1CYP1B1DPP4
SCHEMBL7182372 0.91 PTPN1 (0.49) PTPN1
SCHEMBL7186849 0.91 ABCG2 (0.44) PTPN1ABCG2CYP1A1CYP1B1DPP4
SCHEMBL7191043 0.90 PTPN1 (0.44) PTPN1ABCG2CYP1A1CYP1B1DPP4

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
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP 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