SCHEMBL9547279

SCHEMBL9547279

C[N+](C)CC(=O)NCCO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 4/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
NAAA Q02083 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
SELP P16109 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
FAAH O00519 1/20 0.36
KCNK3 O14649 1/20 0.36
CNR2 P34972 1/20 0.36
BLM P54132 1/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5469546 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL498932 0.72
SCHEMBL1387340 0.71
SCHEMBL2186533 0.71 GAA (0.53) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL7325286 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL2242514 0.70 GAA (0.44) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL8038216 0.69
SCHEMBL622441 0.69
SCHEMBL9547377 0.69
SCHEMBL1387338 0.69

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
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed