SCHEMBL22688281

SCHEMBL22688281

CC(C)(c1ccc(OCC(COc2ccccc2-c2ccccc2)OCC2CO2)cc1)c1ccc(OCC2CO2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
ALDH1A1 P00352 4/20 0.58
TP53 P04637 3/20 0.58
TSHR P16473 3/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
HIF1A Q16665 2/20 0.58
CYP1A2 P05177 1/20 0.58
PPARG P37231 1/20 0.58
TDP1 Q9NUW8 1/20 0.45
ADRB2 P07550 3/20 0.40
ADRB1 P08588 1/20 0.40
PTPN1 P18031 1/20 0.40
GLA P06280 1/20 0.40
AR P10275 2/20 0.37
GRM2 Q14416 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 2/20 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
SCHEMBL22688279 0.89 KMT2A (0.76) KMT2AMEN1ALDH1A1TP53TSHR
SCHEMBL6858978 0.87 KMT2A (0.71) KMT2AMEN1ALDH1A1TP53TSHR
SCHEMBL6851768 0.82 KMT2A (0.65) KMT2AMEN1ALDH1A1TP53TSHR
SCHEMBL22688031 0.81 KMT2A (0.66) KMT2AMEN1ALDH1A1TP53TSHR
SCHEMBL20457156 0.81 KMT2A (0.78) KMT2AMEN1ALDH1A1TP53TSHR
SCHEMBL6858848 0.80 KMT2A (0.60) KMT2AMEN1ALDH1A1TP53TSHR
SCHEMBL261607 0.79 MEN1 (1.00) KMT2AMEN1ALDH1A1TP53TSHR
SCHEMBL10050541 0.78 TSHR (0.76) KMT2AMEN1ALDH1A1TP53TSHR
SCHEMBL6858467 0.78 TSHR (0.62) KMT2AMEN1ALDH1A1TP53TSHR
SCHEMBL17464405 0.78 KMT2A (0.76) KMT2AMEN1ALDH1A1TP53TSHR

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
WO-2020230789-A1 SEALANT FOR LIQUID CRYSTAL DROPPING METHOD 協立化学産業株式会社 2020-11-19 WO disclosed