SCHEMBL19829750

SCHEMBL19829750

CCOCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32
CTSK P43235 1/20 0.32
NAAA Q02083 1/20 0.32
MCHR1 Q99705 1/20 0.31
BRD4 O60885 1/20 0.31
GRM2 Q14416 4/20 0.31
PDE2A O00408 1/20 0.31
EPHX2 P34913 3/20 0.30
SLC7A5 Q01650 1/20 0.30
DHODH Q02127 1/20 0.30
SCN7A Q01118 1/20 0.30
SCN5A Q14524 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
SCHEMBL19829695 0.91
SCHEMBL19829682 0.88 CCR2 (0.30)
SCHEMBL16978453 0.85 S1PR1 (0.40) CTSKNAAAMCHR1EPHX2SLC7A5
SCHEMBL17147790 0.85 S1PR1 (0.38) CTSKNAAAMCHR1GRM2EPHX2
SCHEMBL12625858 0.84 GRM2 (0.35) CTSKNAAAMCHR1GRM2EPHX2
SCHEMBL12032351 0.84 CTSK (0.32) CTSKNAAAMCHR1EPHX2SLC7A5
SCHEMBL12625051 0.84 GRM2 (0.34) FFAR1CTSKNAAAGRM2
SCHEMBL19257696 0.84 S1PR1 (0.41) CTSKNAAAMCHR1EPHX2SLC7A5
SCHEMBL19829712 0.84
SCHEMBL12625857 0.83 GRM2 (0.34) CTSKNAAAGRM2

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