SCHEMBL9108813

SCHEMBL9108813

C=Cc1ccc(C(C)OCCOCCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
RARB P10826 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
AHR P35869 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL1151204 0.77 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12923006 0.75 USP2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9108807 0.75 ALDH1A1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL678014 0.75 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Styrene SCHEMBL28635897 0.74 TSHR (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27466473 0.74 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7763428 0.74 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5693002 0.73 CHRNA7 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7108079 0.73 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4293923 0.71 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624060-A4 COATED SHEET MATERIAL AND METHOD. WARE TECHNOLOGIES L C A (US) 1995-04-05 EP disclosed
EP-0624060-A1 COATED SHEET MATERIAL AND METHOD A* WARE TECHNOLOGIES, L.C. (US) 1994-11-17 EP disclosed
WO-1993014642-A1 COATED SHEET MATERIAL AND METHOD A*WARE TECHNOLOGIES, L.C. (US) 1993-08-05 WO disclosed