SCHEMBL31336170

SCHEMBL31336170

C=CC(=O)N(CC(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
LMNA P02545 2/20 0.31
ADRA1A P35348 2/20 0.30
TSHR P16473 2/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ALOX15 P16050 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL9405115 0.83 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL8375415 0.82 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL23420948 0.80 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL20943430 0.78 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL8208729 0.77 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL23420701 0.77 ZDHHC20 (0.39) TSHRALDH1A1
SCHEMBL23080052 0.77 ALDH1A1 (0.34) LMNATSHRALDH1A1
SCHEMBL23420285 0.77 ZDHHC20 (0.35) TSHRALDH1A1
SCHEMBL16117666 0.75 ZDHHC20 (0.31) TSHRALDH1A1
SCHEMBL16117656 0.75 ZDHHC20 (0.38) TSHRALDH1A1

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
CN-119301096-A Inhibitors of MYST family lysine acetyltransferase 伊索斯泰里克斯公司 2025-01-10 CN disclosed