SCHEMBL23399576

SCHEMBL23399576

CCCc1c(O)nn(CC)c1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
USP2 O75604 3/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ESR1 P03372 2/20 0.33
ALOX15 P16050 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
NFKB1 P19838 2/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL23403143 0.93 MAPT (0.39) TRPM8USP2KDM4EHPGDALDH1A1
SCHEMBL23402803 0.90 ESR1 (0.40) TRPM8USP2KDM4EHPGDALDH1A1
SCHEMBL23400474 0.88 TRPM8 (0.39) TRPM8USP2KDM4EHPGDALDH1A1
SCHEMBL23401044 0.88 NR1H3 (0.38) USP2KDM4EHPGDALDH1A1ESR1
SCHEMBL23402329 0.87 GCGR (0.34) TRPM8USP2KDM4EHPGDALDH1A1
SCHEMBL23402927 0.85 USP2 (0.38) TRPM8USP2KDM4EHPGDALDH1A1
SCHEMBL23400319 0.83 ESR1 (0.40) TRPM8USP2KDM4EHPGDALDH1A1
SCHEMBL23402949 0.83 NR1H3 (0.39) KDM4EHPGDALDH1A1ESR1LMNA
SCHEMBL23399946 0.83 TRPM8 (0.36) TRPM8USP2HPGDALOX15LMNA
SCHEMBL23401618 0.82 TRPM8 (0.40) TRPM8USP2HPGDALDH1A1GAA

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