SCHEMBL28176602

SCHEMBL28176602

CC=CC(=O)NC(C)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.42
TSHR P16473 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
XDH P47989 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ACACB O00763 1/20 0.35
TP53 P04637 1/20 0.34

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 0.82 ALDH1A1 (0.61) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10536737 0.82 ALDH1A1 (0.61) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10539767 0.82 ALDH1A1 (0.61) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL26095375 0.81 TSHR (0.58) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL21368255 0.81 TSHR (0.58) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL21629443 0.81 TSHR (0.58) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL194056 0.79 SMN1; SMN2 (0.33) TSHRSMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL9304164 0.78 SMN1; SMN2 (0.47) TSHRSMN1; SMN2ALDH1A1GAAXDH
SCHEMBL9304160 0.78 SMN1; SMN2 (0.47) TSHRSMN1; SMN2ALDH1A1GAAXDH
SCHEMBL9304167 0.78 SMN1; SMN2 (0.47) TSHRSMN1; SMN2ALDH1A1GAAXDH

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-107209274-A Dose radiation determines gel and possesses its dosimeter as the measurement material of dose radiation 国立研究开发法人理化学研究所 2017-09-26 CN disclosed