SCHEMBL23398607

SCHEMBL23398607

CCc1nn(CC(C)C)c(-c2ccc(C)cc2)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
NR1H2 P55055 2/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL23402271 0.89 MAPT (0.35) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL23401967 0.88 HPGD (0.37) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL23400675 0.87 CNR2 (0.39) MAPTHTR2AHTR2CHTR2BALDH1A1
SCHEMBL23400720 0.86 MAPT (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23399225 0.84 MAPT (0.41) HEXAHEXBMAPTMEN1KMT2A
SCHEMBL23400213 0.83 HEXA (0.39) HEXAHEXBMAPTMEN1KMT2A
SCHEMBL23402795 0.83 PGR (0.38) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL23400765 0.82 ESR1 (0.38) HEXAHEXBMAPTMEN1KMT2A
SCHEMBL23398995 0.82 RAB9A (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23401092 0.81 HTR2A (0.44) HEXAHEXBMAPTMEN1KMT2A

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