SCHEMBL28544012

SCHEMBL28544012

CC(C)(C)c1ccc(NC(=O)OCc2ccccc2)cc1NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 1/20 0.50
ENPP2 Q13822 3/20 0.49
ROCK2 O75116 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN1 P18031 1/20 0.47
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 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
SCHEMBL397072 0.87 MGLL (0.51) MGLLNPC1RAB9ASMN1; SMN2TP53
SCHEMBL394888 0.84 MGLL (0.55) MGLLNPC1RAB9ASMN1; SMN2TP53
SCHEMBL11766069 0.81 NPC1 (0.72) MGLLNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3792767 0.79 MGLL (0.61) MGLLNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5947042 0.79 NPC1 (0.64) MGLLNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13104562 0.78 NPC1 (0.60) MGLLNPC1RAB9ASMN1; SMN2TP53
SCHEMBL23483449 0.78 SMN1; SMN2 (0.75) MGLLNPC1RAB9ASMN1; SMN2TP53
SCHEMBL15603508 0.77 MGLL (0.67) MGLLNPC1RAB9ASMN1; SMN2TP53
SCHEMBL25856302 0.77 MAPT (0.60) MGLLNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5852207 0.76 POLB (0.68) MGLLNPC1RAB9ASMN1; SMN2TP53

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-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed