SCHEMBL7733016

SCHEMBL7733016

C=CC[C@H]1CC[C@H](c2ccc(C(=O)O)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.40
DHODH Q02127 5/20 0.37
CFB P00751 1/20 0.36
STAT3 P40763 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
ACLY P53396 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
NOTUM Q6P988 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
BTK Q06187 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
SCHEMBL7733021 1.00 ACMSD (0.40) ACMSDDHODHCFBSTAT3KDM4C
SCHEMBL7728343 0.87 ACMSD (0.39) ACMSDDHODHCFBSTAT3KDM4C
SCHEMBL7728354 0.87 ACMSD (0.39) ACMSDDHODHCFBSTAT3KDM4C
SCHEMBL10148375 0.84 ACMSD (0.53) ACMSDDHODHCFBSTAT3KDM4C
SCHEMBL14268568 0.82 ACMSD (0.43) ACMSDDHODHCFBSTAT3KDM4C
SCHEMBL9511993 0.82 HTR2A (0.37)
SCHEMBL9512007 0.82 HTR2A (0.37)
SCHEMBL8517653 0.81 ESR2 (0.40) ACMSD
SCHEMBL8517655 0.81 ESR2 (0.40) ACMSD
SCHEMBL9762781 0.81 TBK1 (0.40) KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5155817-A None JP disclosed
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
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
JP-H05155817-A LIQUID CRYSTAL COMPOUND, COMPOSITION AND DISPLAY DEVICE USING THE SAME SHARP CORP 1993-06-22 JP disclosed