SCHEMBL6286535

SCHEMBL6286535

C=CCOC(=O)C(CC(=O)OC)C(=O)OCC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP1 P29466 1/20 0.31
PKM P14618 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
SCHEMBL7394257 0.83 TDP1 (0.40) TDP1TSHRALDH1A1LMNAMAPT
SCHEMBL23781344 0.83 TDP1 (0.40) TDP1TSHRALDH1A1LMNAMAPT
SCHEMBL19105432 0.83 TSHR (0.43) TDP1TSHRALDH1A1LMNAMAPT
SCHEMBL20727109 0.81 TDP1 (0.39) TDP1TSHRALDH1A1LMNAMAPT
SCHEMBL19105329 0.80 TDP1 (0.40) TDP1TSHRALDH1A1LMNAMAPT
SCHEMBL19731034 0.79 RECQL (0.39) TDP1TSHRALDH1A1LMNAMAPT
SCHEMBL13443167 0.78 ALDH1A1 (0.53) TDP1TSHRALDH1A1LMNAMAPT
SCHEMBL7975200 0.77 TSHR (0.41) TDP1TSHRALDH1A1LMNAMAPT
SCHEMBL6442162 0.77 TSHR (0.46) TSHRLMNASMN1; SMN2GAAHSD17B10
SCHEMBL14331822 0.75 TSHR (0.46) TDP1TSHRALDH1A1MAPTCACNA1B

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-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed