SCHEMBL18800461

SCHEMBL18800461

CC(C)OCCNC(=O)C=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
NAMPT P43490 1/20 0.35
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL18800449 0.83 MEN1 (0.34) EPHX2ALDH1A1TSHRKMT2AMEN1
SCHEMBL2608232 0.82 ZDHHC20 (0.47) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL10157165 0.81 SMN1; SMN2 (0.44) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL26897437 0.79 EPHX2 (0.41) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL25083957 0.78 EPHX2 (0.43) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL27376267 0.78 ALDH1A1 (0.50) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL25868257 0.78 EPHX2 (0.43) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL5981227 0.77 EPHX2 (0.47) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL3555994 0.77 EPHX2 (0.47) EPHX2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL12313870 0.77

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-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed