SCHEMBL8772358

SCHEMBL8772358

CC(C)(C)OOC(=O)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KEAP1 Q14145 1/20 0.50
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
FFAR1 O14842 1/20 0.47
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
ALOX5 P09917 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL19452725 0.90 HDAC1 (0.53) TDP1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL29086538 0.83 TDP1 (0.73) TDP1ALDH1A1KEAP1KMT2AL3MBTL1
SCHEMBL1380801 0.82 TDP1 (0.61) TDP1ALDH1A1KEAP1KMT2AL3MBTL1
SCHEMBL491370 0.82 ALDH1A1 (0.55) TDP1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL7697901 0.81 MAPT (0.51) TDP1KMT2AMAPTHDAC2HDAC8
SCHEMBL27839288 0.80 TDP1 (0.63) TDP1ALDH1A1KEAP1KMT2AL3MBTL1
SCHEMBL8823344 0.78 TDP1 (0.51) TDP1ALDH1A1KEAP1KMT2AL3MBTL1
SCHEMBL1838210 0.77 TDP1 (0.63) TDP1ALDH1A1KEAP1KMT2AL3MBTL1
Methyl 3-Phenylpropanoate SCHEMBL168711 0.76 TDP1 (0.68) TDP1ALDH1A1KEAP1KMT2AHTT
SCHEMBL1739439 0.75 TDP1 (0.73) TDP1ALDH1A1KEAP1KMT2AL3MBTL1

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-0799288-A1 INTUMESCENT PUTTY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-08 EP disclosed
WO-1996020987-A1 INTUMESCENT PUTTY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-11 WO disclosed