SCHEMBL23399172

SCHEMBL23399172

Cc1ccc(-c2c(O)nn(CC(C)C)c2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
ALOX5 P09917 1/20 0.37
TRPV1 Q8NER1 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
FYN P06241 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PTGIR P43119 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL23400299 1.00 CNR2 (0.39) CNR2ALOX5TRPV1SMN1; SMN2ALDH1A1
SCHEMBL23401768 0.94 PGR (0.36) CNR2ALDH1A1RAB9ANPC1CYP2C19
SCHEMBL23403583 0.93 CNR2 (0.40) CNR2TRPV1SMN1; SMN2ALDH1A1CNR1
SCHEMBL23401198 0.88 ICMT (0.37) TRPV1NR1H2PGRNR3C2AR
SCHEMBL23398534 0.87 TSHR (0.38) CNR2SMN1; SMN2ALDH1A1CNR1TDP1
SCHEMBL23400242 0.85 HTR2A (0.42) ALOX5SMN1; SMN2TDP1RAB9ANPC1
SCHEMBL23401143 0.85 HTR2A (0.42) ALOX5SMN1; SMN2TDP1RAB9ANPC1
SCHEMBL23401771 0.82 RAB9A (0.44) CNR2TRPV1SMN1; SMN2ALDH1A1CNR1
SCHEMBL23398753 0.81 CNR2 (0.40) CNR2TRPV1SMN1; SMN2ALDH1A1CNR1
SCHEMBL23401131 0.81 MEN1 (0.34) CNR2ALDH1A1RAB9ANPC1CYP2C19

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