SCHEMBL289995

SCHEMBL289995

Cc1cc(F)c(F)c(C#N)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
LMNA P02545 4/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL24744660 0.86 TRPV4 (0.41) TRPV4KDM4EALDH1A1MAPTHSD17B10
SCHEMBL809118 0.83 TRPV4 (0.50) TRPV4DHODHSTAT3
SCHEMBL4436602 0.82 TRPV4 (0.41) TRPV4KDM4EALDH1A1MAPTHSD17B10
SCHEMBL3191466 0.82 TRPV4 (0.46) TRPV4KDM4EALDH1A1MAPTHSD17B10
Acetonitrile SCHEMBL23071362 0.81 TRPV4 (0.44) TRPV4DHODHGAAGFERSTAT3
SCHEMBL13082286 0.77 TRPV4 (0.41) TRPV4KDM4EALDH1A1MAPTHSD17B10
SCHEMBL26377802 0.77 RAPGEF4 (0.31)
Cyclopropane SCHEMBL28838233 0.76 TRPV4 (0.44) TRPV4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7649737 0.74 TRPV4 (0.45) TRPV4ALDH1A1
SCHEMBL5338291 0.74 TRPV4 (0.45) TRPV4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427801-A1 FUNCTIONALIZED PERFLUOROPOLYETHER MATERIAL AS A HYDROPHOBIC COATING Hewlett-Packard Development Company, L.P. (US) 2012-03-14 EP disclosed
WO-2010128969-A1 FUNCTIONALIZED PERFLUOROPOLYETHER MATERIAL AS A HYDROPHOBIC COATING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2010-11-11 WO disclosed