SCHEMBL10608570

SCHEMBL10608570

O=C(OCc1c(O)cc(O)cc1O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
KMT2A Q03164 2/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PPARG P37231 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
F2 P00734 1/20 0.45

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
SCHEMBL28992371 0.83 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL29853739 0.79 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL4645175 0.79 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL10611790 0.79 KMT2A (0.56) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL336833 0.76 PPARG (0.63) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL28758281 0.76 TDP1 (0.61) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL29074347 0.76 HSP90AA1 (0.61) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL4648309 0.76 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL29083309 0.76 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL8010992 0.75 KMT2A (1.00) TDP1KMT2ASLC6A2SLC6A3LMNA

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
US-4742041-A DYE PRECURSOR, PROTECTIVE COATING FUJI PHOTO FILM CO., LTD. (JP) 1988-05-03 US disclosed
US-4251640-A OF AN UNSATURATED POLYESTER CONTAINING A PEROXIDE INITIATOR AND A PROMOTER AKZONA INCORPORATED (US) 1981-02-17 US disclosed