SCHEMBL29239646

SCHEMBL29239646

C=CC(=O)OCC(NC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
ESR2 Q92731 1/20 0.31
EGFR P00533 1/20 0.30
BTK Q06187 1/20 0.30
ATF4 P18848 4/20 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
SCHEMBL28069468 0.70
SCHEMBL29239644 0.68 GAA (0.34) GAAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL29445578 0.68 HPGD (0.47) GAAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL29239648 0.68 ALPL (0.34) HPGDSMN1; SMN2LMNAMAPTMEN1
SCHEMBL29754269 0.65 GAA (0.42) GAAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9720579 0.65 GAA (0.42) GAAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9211517 0.65 GAA (0.42) GAAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL28816305 0.62 MAPT (0.39) GAAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL28816308 0.62 HPGD (0.43) GAAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9489704 0.62 HPGD (0.43) GAAHPGDSMN1; SMN2NPC1RAB9A

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-117983168-B Charging intelligent regulation's cyclopropylethyl amide production reation kettle 江苏飞宇医药科技股份有限公司 2024-06-18 CN disclosed
CN-117983168-A Charging intelligent regulation's cyclopropylethyl amide production reation kettle 江苏飞宇医药科技股份有限公司 2024-05-07 CN disclosed