SCHEMBL9206940

SCHEMBL9206940

C=CCc1ccc(OC(C)(C)C)c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.46
ABCG2 Q9UNQ0 3/20 0.40
CAPN1 P07384 1/20 0.40
IDH1 O75874 1/20 0.39
ABCB1 P08183 1/20 0.39
UGT1A1 P22309 1/20 0.39
DPP4 P27487 1/20 0.39
ABCC1 P33527 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7186631 0.88 PTPN1 (0.59) PTPN1ABCG2CAPN1KDM4ELMNA
SCHEMBL9198648 0.86 MAPT (0.45) PTPN1ABCG2CAPN1DPP4KDM4E
SCHEMBL7186606 0.86 PTPN1 (0.51) PTPN1DPP4LMNAMAPTATM
SCHEMBL7186226 0.85 PTPN1 (0.53) PTPN1
SCHEMBL7188905 0.85 PTPN1 (0.51) PTPN1ABCG2CAPN1
SCHEMBL7186221 0.85 PTPN1 (0.53) PTPN1
SCHEMBL7185914 0.85 PTPN1 (0.46) PTPN1DPP4MAPT
SCHEMBL9275370 0.85 PTPN1 (0.49) PTPN1ABCG2CAPN1
SCHEMBL9197571 0.84 PTPN1 (0.47) PTPN1ABCG2DPP4MAPT
SCHEMBL9276155 0.84 PTPN1 (0.44) PTPN1DPP4LMNAMAPTATM

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