SCHEMBL21247482

SCHEMBL21247482

CC(C)(C)N(CCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MEN1 O00255 5/20 0.63
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
AOC3 Q16853 1/20 0.46
ALOX5 P09917 1/20 0.45
MLYCD O95822 2/20 0.44
KEAP1 Q14145 1/20 0.44
RIPK1 Q13546 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
FDPS P14324 1/20 0.43

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
SCHEMBL1935310 0.86 MEN1 (0.47) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL4147783 0.86 ESRRG (0.49) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL2881402 0.86 PPARA (0.49) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL1027884 0.86 MEN1 (0.47) KMT2AMEN1HTTL3MBTL1TAAR1
SCHEMBL1845384 0.84 MEN1 (0.46) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL11898599 0.84 MEN1 (0.46) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL21997106 0.84 KMT2A (0.46) KMT2AMEN1HTTL3MBTL1TAAR1
SCHEMBL1935745 0.84 MEN1 (0.46) KMT2AMEN1HTTL3MBTL1TAAR1
SCHEMBL19921435 0.84 CYP2C9 (0.49) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL2575721 0.84 TAAR1 (0.50) KMT2AMEN1HTTL3MBTL1TAAR1

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
WO-2019154329-A1 COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR 上海海和药物研究开发有限公司 2019-08-15 WO disclosed