SCHEMBL6665749

SCHEMBL6665749

C=CC1CCC(c2ccc(COC(F)(F)Cc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
KDM1A O60341 5/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CACNA1H O95180 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TRPC3 Q13507 1/20 0.30
TRPC6 Q9Y210 1/20 0.30
AOC3 Q16853 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL6661306 0.89 AOC3 (0.33) RORCKDM1ACACNA1HFFAR4AOC3
SCHEMBL6662864 0.89
SCHEMBL6667528 0.88 RORC (0.33) RORCKDM1ATRPV4CACNA1HFFAR4
SCHEMBL6661668 0.85 KDM1A (0.35) KDM1AFFAR4JAK2JAK1TYK2
SCHEMBL6661210 0.84 CYP2C9 (0.38) RORCKDM1ATRPV4CACNA1HFFAR4
SCHEMBL6662562 0.84 HSD11B1 (0.34) FFAR4
SCHEMBL6661211 0.84 FFAR4 (0.32) FFAR4
SCHEMBL6666731 0.83 ESR2 (0.35)
SCHEMBL6668684 0.82 P2RX7 (0.35) FFAR4
SCHEMBL6661914 0.82 RORC (0.37) RORCKDM1ATRPV4

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