SCHEMBL23398576

SCHEMBL23398576

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
MAPT P10636 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL23402177 0.89 TRPM8 (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL23399946 0.89 TRPM8 (0.36) TRPM8IDO1TDO2FNTAFNTB
SCHEMBL23402329 0.87 GCGR (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL23402998 0.87 ESR1 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL23399988 0.86 MAPT (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL23401139 0.85 NR1H3 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL23398621 0.85 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL23398422 0.85 TDP2 (0.35) TRPM8IDO1TDO2FNTAFNTB
SCHEMBL23402609 0.82 TRPM8 (0.32) TRPM8FNTAFNTBMAPTUSP2
SCHEMBL23401915 0.82 CNR2 (0.38) MAPTTSHRSMN1; SMN2KDM4EBCL2

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