SCHEMBL5802385

SCHEMBL5802385

Cc1ccc(S(=O)(=O)O)c(CC2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
NPC1 O15118 5/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 3/20 0.37
CNR1 P21554 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
CEL P19835 1/20 0.36

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
SCHEMBL3389669 0.98 EPHX2 (0.40) EPHX2NPC1GAAPKMHTT
SCHEMBL20573229 0.95 EPHX2 (0.38) EPHX2NPC1GAAPKMHTT
SCHEMBL6961687 0.89 EPHX2 (0.41) EPHX2NPC1GAAPKMHTT
SCHEMBL6417418 0.87 AKR1C3 (0.36) EPHX2GAAHTTTSHRKMT2A
SCHEMBL9485617 0.87 PIK3CG (0.32) EPHX2GAAHTTTSHRKMT2A
SCHEMBL963562 0.86 NPC1 (0.42) EPHX2NPC1RAB9ACNR1
SCHEMBL23151945 0.85 FFAR4 (0.32) EPHX2GAAHTTKMT2AMEN1
SCHEMBL15229660 0.85 BRD4 (0.35) EPHX2KMT2AMEN1CNR1
SCHEMBL7526268 0.85 CYP2C9 (0.35) EPHX2NPC1GAAPKMHTT
SCHEMBL8945001 0.85 CYP2C9 (0.35) EPHX2NPC1GAAPKMHTT

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
WO-2006074979-A1 USE OF 2,2-DIMETHYL-3-CYCLOHEXYL-1-PROPANOL AS A PERFUME SYMRISE GMBH & CO. KG (DE) 2006-07-20 WO disclosed