SCHEMBL8559723

SCHEMBL8559723

C=CCOC(=O)/C(C#N)=C\N(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.68
PTP4A1 Q93096 3/20 0.48
PTP4A3 O75365 2/20 0.48
PTP4A2 Q12974 1/20 0.47
RAB9A P51151 5/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8559725 1.00 CYP2C9 (0.68) CYP2C9PTP4A1PTP4A3PTP4A2RAB9A
SCHEMBL8952104 0.81 CYP2C9 (1.00) CYP2C9PTP4A1RAB9AKMT2ASMN1; SMN2
SCHEMBL8952107 0.81 CYP2C9 (1.00) CYP2C9PTP4A1RAB9AKMT2ASMN1; SMN2
SCHEMBL29924198 0.81 CYP2C9 (1.00) CYP2C9PTP4A1RAB9AKMT2ASMN1; SMN2
SCHEMBL6293723 0.79 PTP4A1 (0.49) CYP2C9PTP4A1PTP4A3PTP4A2RAB9A
SCHEMBL28619646 0.78 CYP2C9 (0.75) CYP2C9PTP4A1RAB9AKMT2ASMN1; SMN2
SCHEMBL541316 0.78 PTP4A1 (0.46) CYP2C9PTP4A1PTP4A3PTP4A2RAB9A
SCHEMBL7117452 0.77 PTP4A3 (0.48) CYP2C9PTP4A1PTP4A3PTP4A2RAB9A
SCHEMBL7117459 0.77 PTP4A3 (0.48) CYP2C9PTP4A1PTP4A3PTP4A2RAB9A
SCHEMBL28620837 0.75 CYP2C9 (0.71) CYP2C9PTP4A1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939424-A ANTILIPEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed