SCHEMBL9615546

SCHEMBL9615546

C=C(C)C(=O)OC[CH]COc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
THRB P10828 1/20 0.43
ELANE P08246 1/20 0.42
GPR174 Q9BXC1 1/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
AOC3 Q16853 1/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1642945 0.80 TDP1 (0.51) TDP1POLBAPEX1HTTTHRB
SCHEMBL19715250 0.79 ALDH1A1 (0.43) TDP1POLBAPEX1HTTELANE
SCHEMBL9615554 0.79 TSHR (0.52) TDP1POLBAPEX1HTTTHRB
SCHEMBL21371 0.79 TDP1 (0.61) TDP1POLBAPEX1HTTTHRB
Phenetole SCHEMBL28832428 0.78 ALDH1A1 (0.53) TDP1POLBAPEX1HTTTHRB
SCHEMBL1404303 0.78 TDP1 (0.68) TDP1POLBAPEX1HTTTHRB
SCHEMBL28331865 0.78 TDP1 (0.60) TDP1POLBAPEX1HTTTHRB
SCHEMBL4577427 0.78 TDP1 (0.73) TDP1POLBAPEX1HTTTHRB
SCHEMBL27839265 0.77 AOC3 (0.44) TDP1POLBAPEX1HTTTHRB
SCHEMBL299827 0.77 ELANE (0.41) TDP1POLBAPEX1HTTTHRB

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-5096799-A Carboxy grou-containing binder, photoinitiator with lophine dimer, carboxy and ester group-containing compound to prevent discoloration, monomer; storage stable FUJI PHOTO FILM CO., LTD. (JP) 1992-03-17 US disclosed