SCHEMBL9111732

SCHEMBL9111732

C=CCOc1ccc(C(=O)/C=C/c2cc(OC(C)(C)C)cc(OC(C)(C)C)c2CC=C)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.56
ABCG2 Q9UNQ0 1/20 0.41
TNFRSF1A P19438 1/20 0.41
FLT3 P36888 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9111743 1.00 PTPN1 (0.56) PTPN1ABCG2TNFRSF1AFLT3LMNA
SCHEMBL9114025 0.92 PTPN1 (0.56) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL9114030 0.92 PTPN1 (0.56) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL9112496 0.90 DPP4 (0.51) PTPN1ABCG2
SCHEMBL9112500 0.90 DPP4 (0.51) PTPN1ABCG2
SCHEMBL9115797 0.90 PTPN1 (0.49) PTPN1ABCG2TNFRSF1AFLT3
SCHEMBL9115802 0.90 PTPN1 (0.49) PTPN1ABCG2TNFRSF1AFLT3
SCHEMBL9115500 0.90 PTPN1 (0.56) PTPN1ABCG2TNFRSF1ALMNAMAPT
SCHEMBL9115495 0.90 PTPN1 (0.56) PTPN1ABCG2TNFRSF1ALMNAMAPT
SCHEMBL9110966 0.89 PTPN1 (0.53) 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
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