SCHEMBL30173444

SCHEMBL30173444

CC(C)(C)OC(=O)NNc1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MASP2 O00187 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
FABP4 P15090 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL1690938 1.00 KMT2A (0.54) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL13804211 0.88 MEN1 (0.50) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL222446 0.87 RXFP1 (0.55) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL29702265 0.87 RXFP1 (0.55) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL16774987 0.81 GAA (0.52) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL6852142 0.81 GAA (0.61) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL1586390 0.79 GAA (0.51) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL4365913 0.79 GAA (0.53) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL4371076 0.79 NPC1 (0.51) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL31738259 0.79 GAA (0.51) KMT2AMEN1NPC1RAB9AGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425476-A Boric acid compounds, compositions and methods 塔夫茨大学的受托人 2024-01-19 CN disclosed
CN-115697413-A Radiopharmaceuticals and imaging agents targeting FAP and uses related thereto 塔夫茨大学信托人 2023-02-03 CN disclosed