SCHEMBL9114897

SCHEMBL9114897

COc1ccc(C(=O)C=Cc2cc(C)c(OC(C)(C)C)cc2OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.59
PTPN1 P18031 4/20 0.58
TNFRSF1A P19438 2/20 0.57
DPP4 P27487 2/20 0.57
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAOB P27338 2/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
GABRB2 P47870 1/20 0.54
HPGD P15428 1/20 0.53
F3 P13726 1/20 0.51

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
SCHEMBL9114892 1.00 ABCG2 (0.59) ABCG2PTPN1TNFRSF1ADPP4LMNA
SCHEMBL7185093 0.88 DPP4 (0.58) ABCG2PTPN1DPP4MAPTMAOB
SCHEMBL7185091 0.88 DPP4 (0.58) ABCG2PTPN1DPP4MAPTMAOB
SCHEMBL7192049 0.87 PTPN1 (0.49) ABCG2PTPN1DPP4LMNAMAPT
SCHEMBL7192052 0.87 PTPN1 (0.49) ABCG2PTPN1DPP4LMNAMAPT
SCHEMBL9113874 0.87 DPP4 (0.57) ABCG2PTPN1DPP4LMNAMAPT
SCHEMBL9112642 0.87 DPP4 (0.57) ABCG2PTPN1DPP4LMNAMAPT
SCHEMBL9113945 0.87 PTPN1 (0.64) ABCG2PTPN1TNFRSF1ADPP4LMNA
SCHEMBL7186038 0.86 CTSL (0.51) ABCG2PTPN1DPP4LMNAMAPT
SCHEMBL7186034 0.86 CTSL (0.51) ABCG2PTPN1DPP4LMNAMAPT

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed