SCHEMBL17365752

SCHEMBL17365752

NC1CCC(=C(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PLAU P00749 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
Hydrochloric Acid SCHEMBL31554082 0.97 MAPT (0.31) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL31018670 0.74 TSHR (0.35)
SCHEMBL3855766 0.71
SCHEMBL24817112 0.71
SCHEMBL31553136 0.70 ADRA1A (0.35) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL1578892 0.65
SCHEMBL18735437 0.65
SCHEMBL673288 0.63
SCHEMBL1255385 0.63
SCHEMBL5547 0.62

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-2960226-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2015-12-30 EP disclosed