SCHEMBL30458681

SCHEMBL30458681

O=C1c2cc3ccccc3cc2-c2cc3ccccc3cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CDC25B P30305 1/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 4/20 0.52
TP53 P04637 4/20 0.52
CASP1 P29466 3/20 0.52
CASP7 P55210 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
HIF1A Q16665 2/20 0.52
HPGD P15428 2/20 0.52
MCL1 Q07820 2/20 0.50
BCL2 P10415 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
USP8 P40818 1/20 0.46
USP7 Q93009 1/20 0.46
CYP3A4 P08684 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL29634145 1.00 MEN1 (0.53) MEN1KMT2ACDC25BALDH1A1MAPK1
SCHEMBL16144676 1.00 MEN1 (0.53) MEN1KMT2ACDC25BALDH1A1MAPK1
SCHEMBL30130196 0.97 MEN1 (0.56) MEN1KMT2ACDC25BALDH1A1MAPK1
SCHEMBL29364188 0.97 MEN1 (0.56) MEN1KMT2ACDC25BALDH1A1MAPK1
SCHEMBL354514 0.97 MEN1 (0.56) MEN1KMT2ACDC25BALDH1A1MAPK1
SCHEMBL19230417 0.94 ALDH1A1 (0.52) MEN1KMT2ACDC25BALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL28255083 0.94 MEN1 (0.53) MEN1KMT2ACDC25BALDH1A1MAPK1
SCHEMBL29440306 0.92 MEN1 (0.60) MEN1KMT2ACDC25BALDH1A1MAPK1
SCHEMBL29634247 0.92 MEN1 (0.60) MEN1KMT2ACDC25BALDH1A1MAPK1
SCHEMBL347152 0.92 MEN1 (0.60) MEN1KMT2ACDC25BALDH1A1MAPK1

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
CN-116323733-A Ester compound and resin composition 味之素株式会社 2023-06-23 CN disclosed
CN-116323746-A Ester compound and resin composition 味之素株式会社 2023-06-23 CN disclosed