SCHEMBL28825192

SCHEMBL28825192

C=C(C)C(=O)OCCOC(=O)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
RAB9A P51151 5/20 0.55
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MGLL Q99685 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 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
SCHEMBL28825191 0.95 RAB9A (0.59) HPGDRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL28825189 0.88 L3MBTL1 (0.57) HPGDRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL1087332 0.86 NPC1 (0.60) HPGDRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL2034715 0.81 HPGD (0.51) HPGDRAB9ALMNASMN1; SMN2NPC1
SCHEMBL24434320 0.79 MEN1 (0.52) HPGDRAB9ALMNASMN1; SMN2NPC1
SCHEMBL16693233 0.78 SMN1; SMN2 (0.55) HPGDRAB9ALMNASMN1; SMN2NPC1
SCHEMBL28949534 0.77 RAB9A (0.54) HPGDRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL4961453 0.77 MGLL (0.71) HPGDRAB9ALMNASMN1; SMN2NPC1
SCHEMBL28825142 0.77 ELANE (0.53) LMNAL3MBTL1MEN1KMT2ATDP1
SCHEMBL3204560 0.76 MEN1 (0.49) HPGDRAB9ALMNASMN1; SMN2NPC1

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-114805133-A Aryl chloroformate preparation method 苏州星日化学有限公司 2022-07-29 CN disclosed