SCHEMBL28536283

SCHEMBL28536283

C=CC(=O)OCCNC(=O)c1cccc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
P2RX7 Q99572 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HCRTR1 O43613 1/20 0.40
PTGS1 P23219 1/20 0.39

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
Bromide SCHEMBL28522221 0.99 HPGD (0.46) HPGDPOLBMEN1KMT2ANPC1
SCHEMBL5848878 0.80 MAPK1 (0.52) KMT2ANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL19291843 0.80 MAPK1 (0.52) KMT2ANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL29315485 0.76 CHRNB2 (0.52) MEN1KMT2ASMN1; SMN2MAPK1THRB
SCHEMBL28483635 0.76 ALDH1A1 (0.63) HPGDPOLBMEN1KMT2AL3MBTL1
Bromide SCHEMBL28296902 0.75 THRB (0.40) HPGDP2RX7THRBALDH1A1TP53
SCHEMBL2228385 0.75 MEN1 (0.54) HPGDPOLBMEN1KMT2ANPC1
SCHEMBL28504974 0.75 SMN1; SMN2 (0.61) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3250210 0.74 ITGB3 (0.57) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL13328798 0.74 THRB (0.43) HPGDMEN1KMT2ANPC1RAB9A

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-112470318-A Electrolyte composition, electrolyte membrane, and method for producing electrolyte membrane 株式会社日本触媒 2021-03-09 CN disclosed