SCHEMBL7760488

SCHEMBL7760488

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nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
TP53 P04637 1/20 0.33
OR51E2 Q9H255 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR4A2 P43354 1/20 0.31
FAAH O00519 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31

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
SCHEMBL454664 1.00 MME (0.34) MMEACECPA1ACE2TP53
SCHEMBL16294509 0.84 CYP1A2 (0.33) OR51E2ALDH1A1
SCHEMBL10594533 0.80 TGFBR1 (0.37) MMEACECPA1ACE2ALDH1A1
SCHEMBL10594525 0.80 TGFBR1 (0.37) MMEACECPA1ACE2ALDH1A1
SCHEMBL1700840 0.80 ALDH1A1 (0.43) MMEACECPA1ACE2TP53
SCHEMBL2805307 0.80 ALDH1A1 (0.43) MMEACECPA1ACE2TP53
SCHEMBL2132525 0.80 ALDH1A1 (0.43) MMEACECPA1ACE2TP53
SCHEMBL8186344 0.79 CA2 (0.41) MMEACECPA1ACE2TP53
SCHEMBL9247359 0.79 TGFBR1 (0.36) MMEACECPA1ACE2ALDH1A1
SCHEMBL9247366 0.79 TGFBR1 (0.36) MMEACECPA1ACE2ALDH1A1

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-2001083720-A2 23686, A NOVEL HUMAN AMINOTRANSFERASE AND USES THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-11-08 WO disclosed