SCHEMBL8470743

SCHEMBL8470743

CCCCc1ccc(-c2c([O])cc(F)c(CCc3cc(F)c(C#N)c(F)c3)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RARB P10826 4/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MPL P40238 2/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.31
MGAT2 Q10469 1/20 0.30
TRPV4 Q9HBA0 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
SCHEMBL8470570 0.97 TSHR (0.41) TSHRHSD17B10RARBMAPTMEN1
SCHEMBL8473158 0.93 ALDH1A1 (0.41) TSHRHSD17B10MAPTMEN1ALDH1A1
SCHEMBL8474361 0.90 PDE9A (0.37) MAPTMEN1ALDH1A1KMT2ANPSR1
SCHEMBL8470777 0.89 TSHR (0.50) TSHRHSD17B10RARBRARARARG
SCHEMBL8474032 0.89 BCAT2 (0.33) NPSR1BCAT2BCAT1
SCHEMBL8836795 0.89 RARB (0.39) HSD17B10RARBMAPTMEN1ALDH1A1
SCHEMBL8473428 0.88 RARB (0.33) RARBNPSR1BCAT2BCAT1
SCHEMBL8836779 0.88 DAO (0.39) TSHRHSD17B10RARBALDH1A1NPSR1
SCHEMBL7722802 0.86 TSHR (0.55) TSHRHSD17B10RARBMAPTMEN1
SCHEMBL8472436 0.85 TSHR (0.32) TSHRHSD17B10RARBRARARARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed