SCHEMBL23979138

SCHEMBL23979138

CN[C@@H](CNC(=O)N[C@@H]1CCc2ccccc21)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
EPHX2 P34913 4/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.52
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PDPK1 O15530 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
EPHX1 P07099 1/20 0.44
NPC1 O15118 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
SCHEMBL21376709 0.88 EPHX2 (0.58) USP2EPHX2TSHRHTTKMT2A
SCHEMBL30279330 0.85 EPHX2 (0.54) USP2EPHX2TSHRHTTKMT2A
SCHEMBL21376866 0.85 EPHX2 (0.54) USP2EPHX2TSHRHTTKMT2A
SCHEMBL23978638 0.85 EPHX2 (0.54) USP2EPHX2TSHRHTTKMT2A
SCHEMBL26495666 0.85 EPHX2 (0.54) USP2EPHX2TSHRHTTKMT2A
SCHEMBL23978693 0.85 EPHX2 (0.54) USP2EPHX2TSHRHTTKMT2A
SCHEMBL24106073 0.84 USP2 (0.54) USP2EPHX2TSHRHTTKMT2A
SCHEMBL30279387 0.84 EPHX2 (0.53) USP2EPHX2TSHRHTTALDH1A1
SCHEMBL21376867 0.82 USP2 (0.52) USP2EPHX2TSHRHTTKMT2A
SCHEMBL30279430 0.79 USP2 (0.49) USP2EPHX2TSHRHTTKMT2A

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed