SCHEMBL23399145

SCHEMBL23399145

CCCc1c(-c2ccccc2C)nn(CC(C)C)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.34
USP2 O75604 2/20 0.34
ESR1 P03372 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TLR8 Q9NR97 1/20 0.31
DHODH Q02127 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 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
SCHEMBL23398585 0.94 GCGR (0.36) GCGRUSP2ESR1GABRA1GABRB2
SCHEMBL23402074 0.90 KDM5A (0.34) USP2ESR1GABRA1GABRB2TRPM8
SCHEMBL23401610 0.87 GABRA1 (0.33) USP2GABRA1GABRB2MAPK13MAPK12
SCHEMBL23399475 0.85 ESR1 (0.43) USP2ESR1TLR8TRPM8KDM4E
SCHEMBL23399093 0.83 ESR1 (0.39) USP2ESR1TLR8KDM4ELMNA
SCHEMBL23402892 0.83 GCGR (0.36) GCGRUSP2ESR1GABRA1GABRB2
SCHEMBL23400238 0.83 KMT2A (0.40) USP2ESR1KDM4EGMNNLMNA
SCHEMBL23402212 0.82 GABRA1 (0.38) USP2ESR1GABRA1GABRB2DHODH
SCHEMBL23398750 0.80 LDHA (0.34) USP2ESR1GABRA1GABRB2DHODH
SCHEMBL23400865 0.80 TLR8 (0.38) GCGRUSP2ESR1TLR8TRPM8

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