SCHEMBL29408754

SCHEMBL29408754

C=C(C(=O)O)C(=O)NCc1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.55
PKM P14618 1/20 0.54
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49

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
SCHEMBL28142690 0.87 ALDH1A1 (0.68) ALDH1A1NPC1RAB9APKMMAPT
SCHEMBL16562180 0.85 ALDH1A1 (0.69) ALDH1A1NPC1RAB9APKMMAPT
SCHEMBL8478091 0.84 ALDH1A1 (0.64) ALDH1A1NPC1RAB9APKMMAPT
SCHEMBL14183972 0.80 NPC1 (0.62) ALDH1A1NPC1RAB9APKMLMNA
SCHEMBL1695235 0.80 NPC1 (0.66) ALDH1A1NPC1RAB9APKMHPGD
SCHEMBL6658418 0.80 ALDH1A1 (0.54) ALDH1A1MAPTHPGDLMNAMEN1
SCHEMBL8859819 0.79 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APKMMAPT
SCHEMBL31047699 0.79 HDAC3 (0.55) ALDH1A1NPC1RAB9APKMMAPT
SCHEMBL4575661 0.79 ALDH1A1 (0.61) ALDH1A1NPC1RAB9APKMMAPT
SCHEMBL18415458 0.79 MAPT (0.65) ALDH1A1NPC1RAB9APKMMAPT

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-114213309-A Method for preparing maleimide 苏州昊帆生物股份有限公司 2022-03-22 CN disclosed