SCHEMBL11901965

SCHEMBL11901965

O=C(OCc1ccc(O)cc1Cc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
LMNA P02545 2/20 0.58
HSP90AA1 P07900 3/20 0.53
ALOX5 P09917 1/20 0.53
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PPARG P37231 1/20 0.49
MEN1 O00255 1/20 0.46
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6667580 0.83 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL29074347 0.81 HSP90AA1 (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10611790 0.81 KMT2A (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL30578632 0.80 LMNA (0.67) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2291589 0.79 L3MBTL1 (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL11764362 0.79 ALOX5 (0.74) KMT2AHSP90AA1ALOX5MEN1BCL2
SCHEMBL5085480 0.79 PPARG (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6762297 0.78 TDP1 (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6292267 0.77 ALOX5 (0.71) KMT2AHSP90AA1ALOX5MEN1BCL2
SCHEMBL3264063 0.77 LMNA (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA

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-20120202686-A1 HEAT-SENSITIVE RECORDING MATERIAL OJI PAPER CO., LTD. (JP) 2012-08-09 US disclosed