SCHEMBL6468266

SCHEMBL6468266

CC(S)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.53
MME P08473 3/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
PTGS2 P35354 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
CPA1 P15085 2/20 0.40
ACE2 Q9BYF1 2/20 0.40
POLB P06746 1/20 0.40
FPR2 P25090 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL6468863 1.00 ACE (0.53) ACEMMEALDH1A1LMNAMAPT
SCHEMBL1734807 0.81 ALDH1A1 (0.46) MMEALDH1A1LMNASMN1; SMN2GAA
SCHEMBL3045357 0.81 ALDH1A1 (0.46) MMEALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6376785 0.79 TP53 (0.46) MMEALDH1A1LMNASMN1; SMN2GAA
SCHEMBL16481929 0.79 SMN1; SMN2 (0.44) MMEALDH1A1LMNASMN1; SMN2GAA
SCHEMBL29851772 0.79 TP53 (0.46) MMEALDH1A1LMNASMN1; SMN2GAA
SCHEMBL595439 0.77 DPP4 (0.48) MMEALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL595438 0.77 DPP4 (0.48) MMEALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6860583 0.77 FPR2 (0.43) MMEALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2739557 0.77 SLC7A5 (0.48) MMEALDH1A1LMNAMAPTSMN1; 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
WO-2012058269-A2 METHODS OF TREATING CANCER AND OTHER DISEASES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-05-03 WO disclosed