SCHEMBL10536737

SCHEMBL10536737

COC(=O)[C@H](C)NC(=O)C=CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
HCAR2 Q8TDS4 3/20 0.45
TAAR1 Q96RJ0 1/20 0.44
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
XDH P47989 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 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
SCHEMBL10536726 1.00 ALDH1A1 (0.61) ALDH1A1GAAHCAR2TAAR1CA14
SCHEMBL10539767 1.00 ALDH1A1 (0.61) ALDH1A1GAAHCAR2TAAR1CA14
SCHEMBL28176602 0.82 CA14 (0.42) ALDH1A1GAACA14SMN1; SMN2TSHR
SCHEMBL4572573 0.81 ALDH1A1 (0.68) ALDH1A1GAAHCAR2TAAR1SMN1; SMN2
SCHEMBL4572574 0.81 ALDH1A1 (0.68) ALDH1A1GAAHCAR2TAAR1SMN1; SMN2
SCHEMBL11222703 0.81 ALDH1A1 (0.68) ALDH1A1GAAHCAR2TAAR1SMN1; SMN2
SCHEMBL10935338 0.81 ALDH1A1 (0.68) ALDH1A1GAAHCAR2TAAR1SMN1; SMN2
SCHEMBL9435294 0.77 MAPT (0.48) ALDH1A1GAATAAR1SMN1; SMN2MEN1
SCHEMBL10823780 0.76 GAA (1.00) ALDH1A1GAAHCAR2TAAR1SMN1; SMN2
SCHEMBL14355649 0.76 GAA (1.00) ALDH1A1GAAHCAR2TAAR1SMN1; SMN2

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-H645-H Process for the conversion of maleic acid derivatives to their corresponding fumaric isomers THE NUTRASWEET COMPANY (US) 1989-06-06 US disclosed