SCHEMBL7201882

SCHEMBL7201882

C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OCCCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 2/20 0.40
PLA2G1B P04054 1/20 0.40
RAD52 P43351 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ELANE P08246 1/20 0.37
CPB2 Q96IY4 1/20 0.37

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
SCHEMBL9407217 1.00 HTT (0.42) HTTKMT2AMEN1LMNAMAPT
Acrylic Acid SCHEMBL28234666 0.94 HTT (0.43) HTTKMT2AMEN1LMNAMAPT
Acrylic Acid Methyl Ester SCHEMBL28078109 0.93 HTT (0.42) HTTKMT2AMEN1LMNAMAPT
SCHEMBL28319877 0.89 LMNA (0.50) HTTKMT2AMEN1LMNAMAPT
SCHEMBL35201 0.88 HTT (0.40) HTTKMT2AMEN1LMNAMAPT
SCHEMBL7974759 0.87 LMNA (0.48) HTTKMT2AMEN1LMNAMAPT
SCHEMBL916115 0.86 TSHR (0.45) HTTKMT2AMEN1LMNAMAPT
SCHEMBL1421114 0.85 CYP2C19 (0.43) KMT2ALMNAMAPTMAPK1CYP2C19
SCHEMBL481232 0.85 CYP2C19 (0.38) HTTKMT2AMEN1LMNAMAPT
Methacrylic Acid SCHEMBL1022891 0.85 LMNA (0.46) HTTKMT2AMEN1LMNAMAPT

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
EP-1355994-A2 RADIATION CURABLE COATING FOR THERMOPLASTIC SUBSTRATES Valspar Sourcing, Inc. (US) 2003-10-29 EP disclosed
WO-2002077109-A2 RADIATION CURABLE COATING FOR THERMOPLASTIC SUBSTRATES VALSPAR SOURCING, INC. (US) 2002-10-03 WO disclosed