SCHEMBL16670771

SCHEMBL16670771

CC(C)(C)OC(=O)[C@@](CCCCN)(NC(=O)OCc1ccccc1Cl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TACR1 P25103 1/20 0.39
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SCN9A Q15858 2/20 0.36

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
SCHEMBL9073508 0.86 MEN1 (0.45) KMT2AMEN1MAPT
SCHEMBL7389000 0.86 MEN1 (0.45) KMT2AMEN1MAPT
SCHEMBL8931457 0.79 SYK (0.44) KMT2AMEN1MAPT
SCHEMBL9800219 0.76 SYK (0.43) KMT2AMEN1MAPT
SCHEMBL29501866 0.74 L3MBTL1 (0.42) KEAP1NFE2L2HPGDCYP1A2CYP3A4
SCHEMBL10382701 0.72 SYK (0.43) KMT2AMEN1MAPT
SCHEMBL9553926 0.70 CTSK (0.38) MAPT
SCHEMBL9553930 0.70 CTSK (0.38) MAPT
SCHEMBL29454707 0.70 DGAT1 (0.34) KMT2APKMMEN1
SCHEMBL4951632 0.70 L3MBTL1 (0.41) KMT2APKMMEN1CASP3SENP8

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-2015061412-A1 METHODS AND COMPOSITIONS FOR PROMOTING BRONCHIOLI DILATATION THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-30 WO disclosed