SCHEMBL9113597

SCHEMBL9113597

C=CCOc1ccc(C(=O)/C=C/c2cc(OC(C)(C)C)cc(OC(C)(C)C)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.55
ABCG2 Q9UNQ0 1/20 0.46
TNFRSF1A P19438 1/20 0.45
FLT3 P36888 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DPP4 P27487 3/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43

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
SCHEMBL9113604 1.00 PTPN1 (0.55) PTPN1ABCG2TNFRSF1AFLT3LMNA
SCHEMBL9114109 0.89 PTPN1 (0.52) PTPN1ABCG2TNFRSF1AFLT3LMNA
SCHEMBL7187132 0.88 PTPN1 (0.55) PTPN1TNFRSF1AFLT3LMNAMAPT
SCHEMBL7796279 0.88 PTPN1 (0.55) PTPN1TNFRSF1AFLT3LMNAMAPT
SCHEMBL9113872 0.88 DPP4 (0.56) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL9113878 0.88 DPP4 (0.56) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL7185448 0.88 PTPN1 (0.58) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL9111732 0.88 PTPN1 (0.56) PTPN1ABCG2TNFRSF1AFLT3LMNA
SCHEMBL9111743 0.88 PTPN1 (0.56) PTPN1ABCG2TNFRSF1AFLT3LMNA
SCHEMBL9114596 0.86 DPP4 (0.58) PTPN1ABCG2TNFRSF1ALMNAMAPT

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