SCHEMBL9058801

SCHEMBL9058801

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 2/20 0.39
PTP4A1 Q93096 2/20 0.39
PTP4A2 Q12974 1/20 0.39
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.34
PLK1 P53350 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CYP2C9 P11712 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL11417209 0.81 ALDH1A1 (0.38) PTP4A3PTP4A1PTP4A2ALDH1A1TSHR
SCHEMBL28902434 0.80 PTP4A3 (0.38) PTP4A3PTP4A1PTP4A2ALDH1A1TSHR
SCHEMBL11417218 0.78
SCHEMBL1261327 0.76 ALDH1A1 (0.55) PTP4A1ALDH1A1TSHRTDP1MAPT
SCHEMBL15770148 0.76 PTP4A3 (0.36) PTP4A3PTP4A1PTP4A2ALDH1A1TSHR
SCHEMBL15770147 0.76 PTP4A3 (0.36) PTP4A3PTP4A1PTP4A2ALDH1A1TSHR
SCHEMBL18859830 0.76 PTP4A3 (0.36) PTP4A3PTP4A1PTP4A2ALDH1A1TSHR
SCHEMBL12226897 0.75 CYP2C9 (0.35) PTP4A3PTP4A1PTP4A2TDP1CYP2C9
SCHEMBL30940 0.75 TSHR (0.59) PTP4A3PTP4A1PTP4A2ALDH1A1TSHR
Acrylonitrile SCHEMBL10815857 0.74 TSHR (0.46) PTP4A3PTP4A1PTP4A2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8143528-A None JP disclosed
JP-8143528-A None JP disclosed
JP-H08143528-A PRODUCTION OF LOWER ALKYL 2-CYANO-3-METHYL-2-BUTENOATE SUMITOMO CHEM CO LTD 1996-06-04 JP disclosed
JP-H08143528-A PRODUCTION OF LOWER ALKYL 2-CYANO-3-METHYL-2-BUTENOATE SUMITOMO CHEM CO LTD 1996-06-04 JP disclosed