SCHEMBL8470570

SCHEMBL8470570

CCCCCc1ccc(-c2c([O])cc(F)c(CCc3cc(F)c(C#N)c(F)c3)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RARB P10826 10/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MGAT2 Q10469 1/20 0.33
MTOR P42345 1/20 0.33
HTR2A P28223 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL8470743 0.97 TSHR (0.37) TSHRHSD17B10RARBRARARARG
SCHEMBL8473158 0.92 ALDH1A1 (0.41) TSHRHSD17B10MAPTALDH1A1MEN1
SCHEMBL7722802 0.89 TSHR (0.55) TSHRHSD17B10RARBRARARARG
SCHEMBL8472436 0.89 TSHR (0.32) TSHRHSD17B10RARBRARARARG
SCHEMBL8474361 0.89 PDE9A (0.37) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL8836568 0.89 RARB (0.43) TSHRHSD17B10RARBRARARARG
SCHEMBL8472585 0.88 RARB (0.36) TSHRHSD17B10RARBRARARARG
SCHEMBL8836848 0.88 TSHR (0.41) TSHRHSD17B10RARBRARARARG
SCHEMBL8836062 0.88 RARB (0.45) TSHRHSD17B10RARBRARARARG
SCHEMBL8836799 0.88 RARB (0.45) 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