SCHEMBL23401896

SCHEMBL23401896

Cc1ccc(-c2c(O)nn(CC(C)C)c2C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
USP7 Q93009 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
DPP4 P27487 4/20 0.32
DPP8 Q6V1X1 2/20 0.32
NR1H2 P55055 1/20 0.32
ICMT O60725 1/20 0.31
DPP9 Q86TI2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACHE P22303 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL23398497 0.87 GCGR (0.37) GCGRKMT2AMEN1USP7MAPT
SCHEMBL23400109 0.87 CNR2 (0.39) GCGRMAPTALDH1A1DPP4NR1H2
SCHEMBL23399710 0.85 MEN1 (0.34) GCGRKMT2AMEN1USP7MAPT
SCHEMBL23403418 0.84 ESR1 (0.39) GCGRKMT2AMEN1USP7MAPT
SCHEMBL23401768 0.84 PGR (0.36) GCGRKMT2AMEN1USP7MAPT
SCHEMBL23399501 0.82 GCGR (0.42) GCGRKMT2AMEN1NPC1ALDH1A1
SCHEMBL23401942 0.81 GRIA2 (0.37) GCGRKMT2AMEN1USP7MAPT
SCHEMBL23402592 0.81 DPP4 (0.36) GCGRKMT2AMEN1MAPTNPC1
SCHEMBL23403048 0.80 MEN1 (0.33) GCGRKMT2AMEN1MAPTNPC1
SCHEMBL23402628 0.79 RAB9A (0.37) KMT2AMEN1MAPTNPC1ALDH1A1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed