SCHEMBL28275014

SCHEMBL28275014

C=CC(=O)N(c1ccco1)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 3/20 0.35
RECQL P46063 2/20 0.35
BLM P54132 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MCL1 Q07820 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SRC P12931 1/20 0.35
PTPN1 P18031 2/20 0.34

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
SCHEMBL9768097 0.82 KDM4E (0.48) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL9547589 0.77 CES2 (0.44) SMN1; SMN2CES2CES1LMNAHCAR2
SCHEMBL3360546 0.75 PTPN1 (0.43) SMN1; SMN2CES2CES1LMNAHCAR2
SCHEMBL8589614 0.74 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHCAR2ALDH1A1KMT2A
SCHEMBL8589610 0.74 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHCAR2ALDH1A1KMT2A
SCHEMBL9547542 0.74 ALOX5 (0.47) SMN1; SMN2CES2CES1LMNAALDH1A1
SCHEMBL19888988 0.70 MAPT (0.57) ALDH1A1POLBMAPTNPSR1ALOX5
SCHEMBL28946137 0.68 ALDH1A1 (0.33) SMN1; SMN2CES2CES1LMNAHCAR2
SCHEMBL1629579 0.67 TRPM8 (0.57) ALDH1A1KMT2APOLBMEN1TDP1
SCHEMBL653375 0.65 ALDH1A1 (0.45) CES2CES1LMNAALDH1A1KMT2A

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-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed