SCHEMBL11901966

SCHEMBL11901966

O=C(OC(Cc1ccccc1)c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.55
ESR2 Q92731 4/20 0.55
LMNA P02545 2/20 0.53
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MDM2 Q00987 1/20 0.45
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL27093069 0.90 TP53 (0.52) ESR1ESR2LMNASLC6A2SLC6A3
SCHEMBL11344794 0.86 ESR1 (0.44) ESR1ESR2SLC6A2KMT2ACA12
SCHEMBL5153650 0.84 ESR1 (0.63) ESR1ESR2LMNASLC6A2SLC6A3
SCHEMBL1096056 0.83 ESR1 (0.49) ESR1ESR2LMNASLC6A2SLC6A3
SCHEMBL28543673 0.80 NPSR1 (0.52) ESR1ESR2KMT2ATDP1ALDH1A1
SCHEMBL5337633 0.79 NR4A2 (0.47) TP53
SCHEMBL9419435 0.79 ALDH1A1 (0.48) ESR1ESR2TP53TSHRALDH1A1
SCHEMBL891147 0.78 ESR1 (0.64) ESR1ESR2LMNASLC6A2SLC6A3
SCHEMBL1129618 0.78 ESR1 (0.64) ESR1ESR2LMNASLC6A2KMT2A
SCHEMBL14996377 0.77 ESR1 (0.62) ESR1ESR2LMNASLC6A2SLC6A3

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