SCHEMBL9276392

SCHEMBL9276392

C=CCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OCCC)cc1O.CCCOc1cc(O)c(C(C)(C)CC)cc1/C=C/C(=O)c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.64
IDH1 O75874 1/20 0.53
ABCB1 P08183 1/20 0.53
UGT1A1 P22309 1/20 0.53
DPP4 P27487 1/20 0.53
ABCC1 P33527 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53

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
SCHEMBL9276395 1.00 PTPN1 (0.64) PTPN1IDH1ABCB1UGT1A1DPP4
SCHEMBL9273302 0.92 PTPN1 (0.54) PTPN1
SCHEMBL9273307 0.92 PTPN1 (0.54) PTPN1
SCHEMBL7186479 0.91 DPP4 (0.57) PTPN1IDH1ABCB1UGT1A1DPP4
SCHEMBL7191554 0.91 PTPN1 (0.77) PTPN1
SCHEMBL7186473 0.91 DPP4 (0.57) PTPN1IDH1ABCB1UGT1A1DPP4
SCHEMBL7191546 0.91 PTPN1 (0.77) PTPN1
SCHEMBL9279126 0.88 PTPN1 (0.64) PTPN1IDH1ABCB1UGT1A1DPP4
SCHEMBL9279124 0.88 PTPN1 (0.64) PTPN1IDH1ABCB1UGT1A1DPP4
SCHEMBL7190248 0.84 PTPN1 (0.65) PTPN1ABCG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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