SCHEMBL23401196

SCHEMBL23401196

Cc1ccccc1-c1c(-c2ccccc2)c(O)nn1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
STAT6 P42226 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 2/20 0.35
TRPV1 Q8NER1 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CNR1 P21554 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
DPP4 P27487 3/20 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
SCHEMBL23403583 0.86 CNR2 (0.40) ALDH1A1SMN1; SMN2GAAMAPTCNR2
SCHEMBL23402566 0.85 TRPM8 (0.40) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL23398621 0.83 PIK3CD (0.34) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL23400299 0.83 CNR2 (0.39) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL23399172 0.83 CNR2 (0.39) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL23401019 0.83 ESR1 (0.42) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL23399175 0.82 FABP4 (0.37) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL23400856 0.81 NR1H3 (0.46) ALDH1A1MEN1MAPTKMT2ACNR1
SCHEMBL23398753 0.80 CNR2 (0.40) ALDH1A1HPGDSMN1; SMN2GAAKDM4E
SCHEMBL23400196 0.80 MAPT (0.38) ALDH1A1HPGDSMN1; SMN2GAAKDM4E

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