SCHEMBL28735097

SCHEMBL28735097

CCOC(=O)CNC(=O)C(C)Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
PPID Q08752 3/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
PPIB P23284 1/20 0.40
PPIA P62937 1/20 0.40
PPIG Q13427 1/20 0.40
EPHX2 P34913 1/20 0.39
NLRP3 Q96P20 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
SCHEMBL28735096 1.00 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5184420 0.84 GAA (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9931870 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10703854 0.81 ALDH1A1 (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9586493 0.81 ALDH1A1 (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19709868 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11206091 0.80 NAAA (0.51)
SCHEMBL5408080 0.79 GAA (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5408077 0.79 GAA (0.49) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL10344199 0.79 GAA (0.49) GAAMGAMSIMGAM2ALDH1A1

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
CN-114478425-B Synthetic method of aryloxy phenoxy propionate herbicide 安徽宁亿泰科技有限公司 2024-03-22 CN disclosed
CN-114478425-A Synthetic method of aryloxy phenoxy propionate herbicide 安徽宁亿泰科技有限公司 2022-05-13 CN disclosed