SCHEMBL23402177

SCHEMBL23402177

CCc1c(O)nn(CC(C)C)c1-c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
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
TSHR P16473 2/20 0.32
LMNA P02545 2/20 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
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
SCHEMBL23402329 0.90 GCGR (0.34) TRPM8KDM4EHSD17B10PIK3CDPIK3R2
SCHEMBL23398576 0.89 PIK3CD (0.33) TRPM8KDM4EPIK3CDPIK3R2PIK3CA
SCHEMBL23399988 0.88 MAPT (0.36) TRPM8KDM4EPIK3CDPIK3R2PIK3CA
SCHEMBL23400474 0.86 TRPM8 (0.39) TRPM8KDM4EHSD17B10TSHRLMNA
SCHEMBL23398621 0.85 PIK3CD (0.34) TRPM8KDM4EPIK3CDPIK3R2PIK3CA
SCHEMBL23398598 0.83 ESR1 (0.39) TRPM8KDM4EHSD17B10PIK3CDPIK3R2
SCHEMBL23399979 0.82 SMN1; SMN2 (0.40) KDM4ETSHRLMNAMAPTSMN1; SMN2
SCHEMBL23400989 0.81 HEXA (0.36) TRPM8KDM4EPIK3CDPIK3R2PIK3CA
SCHEMBL23402423 0.81 NR1H3 (0.39) TRPM8PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL23399791 0.81 MPO (0.35) TRPM8KDM4EHSD17B10TSHRLMNA

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