SCHEMBL18539435

SCHEMBL18539435

O=C(OCc1ccco1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
TDP1 Q9NUW8 4/20 0.51
MAPK1 P28482 1/20 0.51
NR4A2 P43354 2/20 0.48
ALDH1A1 P00352 3/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
HIF1A Q16665 1/20 0.47
SGMS2 Q8NHU3 1/20 0.46
MAOB P27338 1/20 0.46
POLB P06746 4/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
ESR2 Q92731 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
SMPD1 P17405 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
SCHEMBL18539436 0.97 KMT2A (0.55) KMT2AMEN1TDP1MAPK1NR4A2
SCHEMBL16897964 0.85 KMT2A (0.73) KMT2AMEN1TDP1NR4A2ALDH1A1
SCHEMBL6851170 0.82 KMT2A (0.68) KMT2AMEN1TDP1NR4A2ALDH1A1
SCHEMBL10036470 0.82 TDP1 (0.66) TDP1MAPK1ALDH1A1SLC6A2SLC6A3
SCHEMBL1640414 0.80 TDP1 (0.68) KMT2ATDP1MAPK1ALDH1A1SLC6A2
SCHEMBL4400182 0.78 KMT2A (0.67) KMT2AMEN1TDP1NR4A2ALDH1A1
Benzoic Acid SCHEMBL9956778 0.76 TDP1 (0.63) KMT2ATDP1MAPK1ALDH1A1SLC6A2
SCHEMBL16137686 0.76 KMT2A (0.59) KMT2AMEN1TDP1NR4A2ALDH1A1
SCHEMBL17860990 0.76 L3MBTL1 (0.51) KMT2AMAPK1ALDH1A1L3MBTL1POLB
SCHEMBL7310898 0.76 KMT2A (0.59) KMT2AMEN1TDP1NR4A2ALDH1A1

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-20170051200-A1 Diels-Alder Coupled Proppant Binder Resins BATTELLE MEMORIAL INSTITUTE 2017-02-23 US disclosed
US-20170051200-A1 Diels-Alder Coupled Proppant Binder Resins BATTELLE MEMORIAL INSTITUTE 2017-02-23 US disclosed