SCHEMBL6661244

SCHEMBL6661244

CCCc1ccc(C(F)(F)OCCc2ccc(C#N)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
TRPV4 Q9HBA0 1/20 0.37
RORC P51449 1/20 0.36
KDM1A O60341 7/20 0.35
AR P10275 4/20 0.34
CACNA1H O95180 3/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL6666053 0.92 TSHR (0.39) DAOTRPV4RORCKDM1AAR
SCHEMBL6665018 0.91 DAO (0.39) DAOTRPV4RORCKDM1AAR
SCHEMBL6666038 0.86 TRPV4 (0.34) TRPV4
SCHEMBL6665130 0.84 TAAR1 (0.33) DAO
SCHEMBL7722882 0.84 DAO (0.40) DAOTRPV4RORCARCACNA1H
SCHEMBL6661202 0.83 ALDH1A1 (0.37) DAORORCKDM1A
SCHEMBL6665292 0.82 TSHR (0.43) KCNJ1KCNH2
SCHEMBL6662178 0.82 TAAR1 (0.33)
SCHEMBL13548285 0.81 TRPV4 (0.53) DAOTRPV4CYP11B1CYP11B2KCNJ1
SCHEMBL6661122 0.81 TAAR1 (0.37)

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
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed