SCHEMBL19829658

SCHEMBL19829658

CCOCC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
FFAR1 O14842 3/20 0.30
PTGIR P43119 1/20 0.30
PTGDR Q13258 1/20 0.30
HCRTR2 O43614 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
SCHEMBL19829690 0.97 FFAR4 (0.30)
SCHEMBL19829713 0.92 GRM2 (0.33)
SCHEMBL19829708 0.91 KDM1A (0.30)
SCHEMBL19829695 0.91
SCHEMBL19829688 0.90 GRM2 (0.31) HCRTR2
SCHEMBL19829659 0.89
SCHEMBL19829664 0.89
SCHEMBL19829756 0.88
SCHEMBL19829717 0.87 GRM2 (0.32)
SCHEMBL19829735 0.87 GRM2 (0.32)

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
US-20180030347-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed