SCHEMBL19829128

SCHEMBL19829128

CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(OCF)c(F)c3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.42
RARA P10276 3/20 0.42
RARG P13631 1/20 0.42
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MTOR P42345 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19829126 0.97 RARB (0.38) RARBRARARARGHSD17B10TSHR
SCHEMBL19829157 0.93 RARB (0.41) RARBRARARARGHSD17B10TSHR
SCHEMBL18310368 0.92 RARB (0.32) RARBRARARARGHSD17B10SMN1; SMN2
SCHEMBL19829163 0.92 RARB (0.32) RARBRARARARGHSD17B10SMN1; SMN2
SCHEMBL19542833 0.92 RARB (0.41) RARBRARARARGHSD17B10TSHR
SCHEMBL19542832 0.92 RARB (0.41) RARBRARARARGHSD17B10TSHR
SCHEMBL12623928 0.91 RARB (0.40) RARBRARARARGHSD17B10TSHR
SCHEMBL12624918 0.90 RARB (0.41) RARBRARARARGHSD17B10TSHR
SCHEMBL19829159 0.90 RARB (0.38) RARBRARARARGMAPT
SCHEMBL14226559 0.89 RARB (0.47) RARBRARARARGHSD17B10TSHR

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-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed