SCHEMBL873331

SCHEMBL873331

C=CCc1ccc(C(C)C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PTGS1 P23219 3/20 0.41
TRPA1 O75762 1/20 0.41
CACNA1C Q13936 1/20 0.41
ACHE P22303 3/20 0.39
XDH P47989 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PTGS2 P35354 3/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TYR P14679 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRHR1 P34998 1/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX12 P18054 1/20 0.32

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
SCHEMBL4107540 0.85 LMNA (0.47) LMNAPTGS1TRPA1CACNA1CACHE
SCHEMBL1705838 0.81 LMNA (0.42) LMNAPTGS1TRPA1CACNA1CACHE
SCHEMBL9028982 0.80 XDH (0.49) PTGS1TRPA1CACNA1CXDHGABRA1
SCHEMBL25893405 0.77 PPARG (0.36) LMNAPTGS1TRPA1CACNA1CACHE
SCHEMBL21262991 0.76 ALDH1A1 (0.43) LMNAPTGS1TRPA1CACNA1CACHE
SCHEMBL11034875 0.76 XDH (0.39) LMNAPTGS1TRPA1CACNA1CACHE
SCHEMBL9816379 0.76 GABRA1 (0.59) LMNAPTGS1TRPA1CACNA1CXDH
SCHEMBL10899219 0.76 GAA (0.44) LMNAGABRA1GABRB2GAAALDH1A1
SCHEMBL3174945 0.76 LMNA (0.48) LMNAPTGS1TRPA1CACNA1CACHE
SCHEMBL7479694 0.76 LMNA (0.44) LMNAPTGS1TRPA1CACNA1CACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618856-A1 DEODORANT COMPOSITION FOR SULFIDES Takasago International Corporation (JP) 2013-07-31 EP disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO disclosed