SCHEMBL6661668

SCHEMBL6661668

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KIF11 P52732 1/20 0.33
KCNH2 Q12809 1/20 0.31
DAO P14920 1/20 0.31
DRD4 P21917 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL6661211 0.90 FFAR4 (0.32) FFAR4
SCHEMBL6666993 0.89 KDM1A (0.33) KDM1AFFAR4RXRAGRIN1GRIN2B
SCHEMBL6666051 0.88 RXRA (0.33) KDM1AFFAR4RXRAGRIN1GRIN2B
SCHEMBL6666731 0.87 ESR2 (0.35)
SCHEMBL6668684 0.86 P2RX7 (0.35) FFAR4
SCHEMBL6665749 0.85 RORC (0.34) KDM1AFFAR4JAK2JAK1TYK2
SCHEMBL6662864 0.84
SCHEMBL6667755 0.84 HTR2C (0.40)
SCHEMBL6663356 0.82 CYP2C9 (0.41)
SCHEMBL6661107 0.81 ESR2 (0.40)

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