SCHEMBL9066622

SCHEMBL9066622

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
GGT1 P19440 1/20 0.41
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
BLM P54132 2/20 0.36
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ADRA1A P35348 2/20 0.33
TET2 Q6N021 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 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
SCHEMBL588499 0.77
SCHEMBL5975289 0.76 TET2 (0.54) ALDH1A1TSHRCYP2C19CYP2D6HIF1A
SCHEMBL4809291 0.74
SCHEMBL1660876 0.74 TSHR (0.55) ALDH1A1TSHRGGT1ARG1ARG2
SCHEMBL1875520 0.74 TSHR (0.55) ALDH1A1TSHRGGT1ARG1ARG2
SCHEMBL162455 0.74 TSHR (0.55) ALDH1A1TSHRGGT1ARG1ARG2
SCHEMBL10042795 0.74 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C19CYP2D6HIF1A
SCHEMBL934622 0.73 ALDH1A1 (0.39) ALDH1A1TSHRFGFR4
SCHEMBL503376 0.73
SCHEMBL503383 0.73

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742800-A1 TWO-PHASE ACIDIC AQUEOUS COMPOSITIONS FOR DIFFUSION TRANSFER PRODUCTS POLAROID CORPORATION (US) 1996-11-20 EP disclosed
WO-1995020610-A2 TWO-PHASE ACIDIC AQUEOUS COMPOSITIONS FOR DIFFUSION TRANSFER PRODUCTS POLAROID CORPORATION (US) 1995-08-03 WO disclosed