SCHEMBL28613779

SCHEMBL28613779

C=C(C)C(=O)OCC.O=C(Cl)C=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 3/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CA12 O43570 2/20 0.43

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
Cinnamic Acid SCHEMBL27813787 0.89 HDAC3 (0.56) MEN1KMT2ARAB9AALDH1A1L3MBTL1
Juarezic Acid SCHEMBL28729155 0.82 RAB9A (0.50) MEN1KMT2ARAB9AALDH1A1L3MBTL1
Methacrylic Acid SCHEMBL390857 0.82 MEN1 (0.53) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL1087500 0.81 RAB9A (0.51) MEN1KMT2ARAB9AALDH1A1L3MBTL1
Styrene SCHEMBL142403 0.81 MEN1 (0.58) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL1087134 0.81 MEN1 (0.58) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL28622988 0.80 RAB9A (0.49) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL10940584 0.80 TDP1 (0.47) MEN1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL28242562 0.80 MEN1 (0.57) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL2707013 0.80 CA12 (0.51) MEN1KMT2ARAB9AALDH1A1L3MBTL1

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-109134825-B Modified epoxy resin and preparation and application thereof 广州市白云化工实业有限公司 2021-07-09 CN disclosed