SCHEMBL22216388

SCHEMBL22216388

CCOC(=O)CCN(C(=O)CC(=O)OCC)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 5/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 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
SCHEMBL16495347 0.81 KMT2A (0.48) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL20125967 0.78 CYP1A2 (0.37) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL18285776 0.78 SMN1; SMN2 (0.38) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL26018533 0.78 SMN1; SMN2 (0.48) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL14906005 0.77 SMN1; SMN2 (0.43) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL7333667 0.77 CYP1A2 (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL1303574 0.76 GAA (0.54) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL11750042 0.75 GAA (0.58) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL21753554 0.74 CYP1A2 (0.47) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL9685398 0.74 GAA (0.52) GAAMGAMSIMGAM2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892621-B1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TRANSTHERA SCIENCES NANJING INC (CN) 2024-09-18 EP disclosed
CN-111434662-B Haloallylamine compound and application thereof 药捷安康(南京)科技股份有限公司 2023-01-10 CN disclosed
EP-3892621-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-10-13 EP disclosed
CN-111434662-A Haloallylamine compound and application thereof 南京药捷安康生物科技有限公司 2020-07-21 CN disclosed
WO-2020143763-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF 南京药捷安康生物科技有限公司 2020-07-16 WO disclosed