SCHEMBL31244589

SCHEMBL31244589

COP(=O)(OC)C(N)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LAP3 P28838 2/20 0.49
KYNU Q16719 1/20 0.46
ELANE P08246 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LTA4H P09960 2/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC15A1 P46059 1/20 0.43

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
SCHEMBL27815144 0.87 ALDH1A1 (0.44) ALDH1A1LAP3KYNUELANEKMT2A
SCHEMBL11795802 0.85 ALDH1A1 (0.50) ALDH1A1KMT2A
SCHEMBL7282986 0.85 POLB (0.49) ALDH1A1LAP3ELANEKMT2AMAPK1
SCHEMBL10762480 0.84 ALDH1A1 (0.53) ALDH1A1LAP3KYNUELANEKMT2A
SCHEMBL15898102 0.83 KYNU (0.46) ALDH1A1LAP3KYNUELANELTA4H
SCHEMBL10400079 0.83 ELANE (0.56) LAP3ELANE
SCHEMBL14793800 0.83 ALDH1A1 (0.51) ALDH1A1LAP3KYNUELANEKMT2A
SCHEMBL4481192 0.82 ALDH1A1 (0.45) ALDH1A1LAP3KYNUELANEKMT2A
SCHEMBL11170311 0.81 ALDH1A1 (0.44) ALDH1A1LAP3KYNUELANEKMT2A
SCHEMBL2658360 0.81 ALDH1A1 (0.50) ALDH1A1LAP3KYNUELANEKMT2A

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
CN-113166057-B Synthesis of (S) -6-hydroxytryptophan and derivatives thereof 海德堡医药研究有限责任公司 2024-12-31 CN disclosed