SCHEMBL16641027

SCHEMBL16641027

CCCCN(CCCC)c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N(CC4CO4)CC4CO4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.42
HIF1A Q16665 1/20 0.42
NR1H2 P55055 13/20 0.37
NR1H3 Q13133 13/20 0.37
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL16641020 0.97 MEN1 (0.42) MEN1KMT2ATP53MAPTHPGD
SCHEMBL16640951 0.97 MEN1 (0.42) MEN1KMT2ATP53MAPTHPGD
SCHEMBL16641021 0.96 MEN1 (0.43) MEN1KMT2ATP53MAPTHPGD
SCHEMBL16644937 0.91 MAPT (0.38) MEN1KMT2ATP53MAPTHPGD
SCHEMBL16644936 0.90 MAPT (0.39) MEN1KMT2ATP53MAPTHPGD
SCHEMBL16640952 0.89 TP53 (0.37) MEN1KMT2ATP53MAPTHPGD
SCHEMBL10159853 0.88 MEN1 (0.51) MEN1KMT2ATP53MAPTHPGD
SCHEMBL1290461 0.88 MEN1 (0.51) MEN1KMT2ATP53MAPTHPGD
SCHEMBL18084085 0.88 MEN1 (0.51) MEN1KMT2ATP53MAPTHPGD
SCHEMBL16640945 0.86 TP53 (0.37) MEN1KMT2ATP53MAPTHPGD

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-20150105493-A1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-04-16 US disclosed