SCHEMBL6661253

SCHEMBL6661253

CCCc1ccc(COC(F)(F)Cc2ccc(C#N)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.40
DAO P14920 2/20 0.38
RORC P51449 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
AR P10275 4/20 0.36
CYP11B1 P15538 6/20 0.36
CYP11B2 P19099 6/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL6666060 0.91 HSD17B10 (0.41) TRPV4DAORORCFFAR1FFAR4
SCHEMBL6665025 0.91 TRPV4 (0.41) TRPV4DAORORCARCYP11B1
SCHEMBL6666043 0.87 TRPV4 (0.36) TRPV4RORCFFAR1FFAR4ALDH1A1
SCHEMBL6665134 0.83 MAOA (0.35) ALDH1A1L3MBTL1KDM4EGAANPC1
SCHEMBL6662183 0.82 GPR84 (0.34) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL13548285 0.81 TRPV4 (0.53) TRPV4DAOFFAR1FFAR4CYP11B1
SCHEMBL6665297 0.81 TSHR (0.44) L3MBTL1KDM4EGAANPC1RAB9A
SCHEMBL6661210 0.80 CYP2C9 (0.38) TRPV4RORCFFAR4ARALDH1A1
SCHEMBL6661132 0.80 LPL (0.38) ALDH1A1KDM4EGAA
SCHEMBL6667152 0.80 KIF11 (0.40) DAOFFAR1FFAR4CYP11B1CYP11B2

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