SCHEMBL11128342

SCHEMBL11128342

CC(C)(C)OOC(=O)C(=CC(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 1/20 0.57
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
AKR1C1 Q04828 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
NFE2L2 Q16236 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ELANE P08246 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SRC P12931 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
SCHEMBL4733824 0.92 TDP1 (0.51) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL11128336 0.86 TDP1 (0.53) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL4783193 0.81 ALDH1A1 (0.40) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL11128335 0.80 TDP1 (0.53) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL4007049 0.78 TSHR (0.50) TDP1ALDH1A1TSHRLMNAAKR1C1
SCHEMBL4007052 0.78 TSHR (0.50) TDP1ALDH1A1TSHRLMNAAKR1C1
SCHEMBL28809442 0.78 ALDH1A1 (0.67) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL210320 0.77 AKR1C1 (0.44) TDP1ALDH1A1TSHRHSD17B10F2
Methane SCHEMBL534895 0.76 TSHR (0.48) TDP1ALDH1A1TSHRHSD17B10LMNA
SCHEMBL11128327 0.75 AKR1C1 (0.42) TDP1ALDH1A1TSHRHSD17B10F2

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-4376847-A Process for the production of styrene polymers MITSUI TOATSU CHEMICALS, INC. (JP) 1983-03-15 US disclosed