SCHEMBL4960461

SCHEMBL4960461

CC(C)(C)OC(=O)CCNC(=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PTPN11 Q06124 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
Hydrochloric Acid SCHEMBL7451357 0.82 MLYCD (0.41) MLYCDGAAMEN1KMT2AEPHX2
SCHEMBL13991916 0.81 MLYCD (0.39) MLYCDGAAMEN1KMT2AEPHX2
SCHEMBL2608190 0.81 MLYCD (0.39) MLYCDGAAMEN1KMT2AEPHX2
SCHEMBL8645031 0.80 KDM4E (0.43) MLYCDGAAMEN1KMT2AEPHX2
SCHEMBL2799440 0.80 TDP1 (0.56) MLYCDGAAMEN1KMT2AEPHX2
SCHEMBL29004441 0.79 TSHR (0.52) GAAMEN1KMT2AEPHX2KDM4E
SCHEMBL16761792 0.79 ECE1 (0.41) MLYCDGAAMEN1KMT2AEPHX2
SCHEMBL21038130 0.79 EPHX2 (0.43) MLYCDGAAMEN1KMT2AEPHX2
SCHEMBL28538717 0.79 EGLN1 (0.47) MLYCDGAAMEN1KMT2AEPHX2
SCHEMBL7664928 0.78 MLYCD (0.41) MLYCDGAAMEN1KMT2AEPHX2

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
US-7470815-B1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed