SCHEMBL28005802

SCHEMBL28005802

CCOC(=O)/C(C#Cc1ccc(C)cc1)=C/Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FFAR1 O14842 3/20 0.40
NR1H4 Q96RI1 1/20 0.38
MAPT P10636 6/20 0.37
TP53 P04637 2/20 0.37
DHODH Q02127 2/20 0.37
THRB P10828 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
STAT1 P42224 1/20 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
SCHEMBL28005825 0.94 MEN1 (0.43) VCPMEN1KMT2AFFAR1NR1H4
SCHEMBL28006082 0.90 ALDH1A1 (0.41) MEN1KMT2AFFAR1NR1H4MAPT
SCHEMBL28006080 0.90 KMT2A (0.44) MEN1KMT2AFFAR1NR1H4MAPT
SCHEMBL28158769 0.82 SMN1; SMN2 (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28006132 0.79 ALDH1A1 (0.39) MEN1KMT2AMAPTTP53DHODH
SCHEMBL28006129 0.79 ALDH1A1 (0.39) MEN1KMT2AMAPTTP53DHODH
SCHEMBL28829235 0.73 MEN1 (0.62) MEN1KMT2ANR1H4MAPTDHODH
SCHEMBL12851497 0.72 MEN1 (0.51) MEN1KMT2ANR1H4MAPTDHODH
SCHEMBL93317 0.72 MEN1 (0.51) MEN1KMT2ANR1H4MAPTDHODH
SCHEMBL28533355 0.71 MEN1 (0.50) MEN1KMT2ANR1H4MAPTDHODH

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
CN-103664625-B 2,3,4,6-tetrasubstituted phenol derivative and preparation method thereof UNIV EAST CHINA NORMAL 2015-04-08 CN disclosed