SCHEMBL6558959

SCHEMBL6558959

CCCCCC(C)(C)c1cccc(O)c1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.45
CNR2 P34972 14/20 0.45
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
EPHX2 P34913 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
SCHEMBL3216756 0.87 CNR1 (0.47) CNR1CNR2MEN1ALDH1A1MAPT
SCHEMBL1833406 0.84 CA2 (0.48) CNR1CNR2
SCHEMBL1834338 0.83 CNR2 (0.49) CNR1CNR2
SCHEMBL1837729 0.83 CNR2 (0.49) CNR1CNR2
SCHEMBL324567 0.83 ALDH1A1 (0.50) CNR1CNR2ALDH1A1
SCHEMBL1839805 0.83 CNR2 (0.49) CNR1CNR2
SCHEMBL1839224 0.83 CNR2 (0.49) CNR1CNR2
SCHEMBL17148818 0.83 CNR2 (0.49) CNR1CNR2
SCHEMBL50707 0.83 CNR1 (0.47) CNR1CNR2
SCHEMBL7597681 0.82 CNR1 (0.46) CNR1CNR2MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0913459-B1 Surfactants XEROX CORP (US) 2004-03-10 EP disclosed
EP-0960931-B1 Processes for preparing surfactants XEROX CORP (US) 2003-10-08 EP disclosed
EP-0960931-A1 Processes for preparing surfactants Xerox Corporation (US) 1999-12-01 EP disclosed
US-5944650-A PHOSPHOROUS MODIFIED POLYOXYETHYLENE GLYCOL XEROX CORPORATION (US) 1999-08-31 US disclosed
EP-0913459-A1 Surfactants Xerox Corporation (US) 1999-05-06 EP disclosed