SCHEMBL8308703

SCHEMBL8308703

CC(C)(C)C(=O)SCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EGLN1 Q9GZT9 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SLC15A2 Q16348 1/20 0.35
FOLH1 Q04609 1/20 0.34
APEX1 P27695 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM5C P41229 1/20 0.33

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
SCHEMBL6891006 0.80 TSHR (0.42) TSHRCYP1A2LMNAKMT2AHSD17B10
SCHEMBL7940467 0.75
SCHEMBL8308068 0.75 CYP2C19 (0.42) TSHRHSD17B10TDP1FFAR3KDM4E
SCHEMBL3072338 0.75 TDP1 (0.32) TDP1
SCHEMBL3864690 0.75 TDP1 (0.50) TSHRTDP1CHRM1
SCHEMBL21600666 0.75 TSHR (0.52) TSHRCYP1A2LMNAKMT2AHSD17B10
SCHEMBL25308536 0.73
SCHEMBL12360851 0.73 ALDH1A1 (0.34) FOLH1
SCHEMBL16940261 0.73
SCHEMBL6549717 0.73 MAPT (0.39) TSHRCYP1A2LMNATDP1APEX1

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
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed