SCHEMBL3631701

SCHEMBL3631701

C=C(C)C(=O)OCC(CC)CCCC.C=CC(=O)OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.39
ELANE P08246 2/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PLA2G1B P04054 1/20 0.37
MAPK1 P28482 1/20 0.37
RAD52 P43351 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL3631698 1.00 TSHR (0.47) TSHRCYP2C19ELANELMNAHTT
SCHEMBL5710144 0.95 TSHR (0.47) TSHRCYP2C19ELANELMNAHTT
SCHEMBL5710094 0.95 TSHR (0.51) TSHRCYP2C19ELANELMNAHTT
SCHEMBL28073424 0.92 LMNA (0.41) TSHRLMNAHTTMAPTNPSR1
SCHEMBL8777327 0.84 LMNA (0.52) TSHRCYP2C19ELANELMNAHTT
SCHEMBL17054726 0.83 CYP2C19 (0.47) CYP2C19ELANELMNAMAPTMAPK1
SCHEMBL28057421 0.83 CYP2C19 (0.47) CYP2C19ELANELMNAMAPTMAPK1
SCHEMBL645585 0.83 TSHR (0.43) TSHRCYP2C19ELANELMNAHTT
Methacrylic Acid SCHEMBL8777382 0.81 LMNA (0.50) TSHRCYP2C19ELANELMNAHTT
SCHEMBL644917 0.81 HTT (0.44) TSHRCYP2C19ELANELMNAHTT

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-20100288353-A1 Coextruded, biaxially oriented polyester films with improved adhesion properties, reverse-side laminates for solar modules, and solar modules MITSUBISHI POLYESTER FILM GMBH (DE) 2010-11-18 US disclosed