SCHEMBL9850296

SCHEMBL9850296

CCC(C)(C)OOOC(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL19452382 0.90 TDP1 (0.48) TDP1ALDH1A1TSHRHSD17B10GAA
SCHEMBL9066833 0.88 TDP1 (0.43) TDP1ALDH1A1TSHRHSD17B10GAA
SCHEMBL659618 0.85 TDP1 (0.59) TDP1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL2884831 0.83 ALDH1A1 (0.55) TDP1ALDH1A1TSHRHSD17B10GAA
SCHEMBL9067159 0.82 ADRB2 (0.45) TDP1ALDH1A1TSHRHSD17B10GAA
SCHEMBL13948367 0.80 TDP1 (0.52) TDP1ALDH1A1GAAKMT2ARAB9A
SCHEMBL9850336 0.80 TDP1 (0.52) TDP1ALDH1A1TSHRHSD17B10GAA
SCHEMBL11683963 0.76 ALDH1A1 (0.31) TDP1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL8896071 0.75 ALDH1A1 (0.69) TDP1ALDH1A1TSHRHSD17B10GAA
SCHEMBL28283385 0.75 LMNA (0.54) TDP1ALDH1A1TSHRHSD17B10GAA

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-0444604-A2 Crosslinking of fluorrubber via crosslinking initiators not forming any methyl- or phenyl-radicals Elf Atochem Deutschland GmbH (DE) 1991-09-04 EP disclosed