SCHEMBL8776360

SCHEMBL8776360

CCC[C@H]1CC[C@H](CCc2cccc(C(=O)C(O)c3ccccc3)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
LMNA P02545 2/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
KAT6A Q92794 1/20 0.34
NAAA Q02083 2/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8776357 1.00 CXCR5 (0.36) CXCR5HTR2AHTR2CCES2CES1
SCHEMBL7737160 0.83 MRGPRX4 (0.41) CXCR5HTR2AHTR2CLMNAALDH1A1
SCHEMBL7737157 0.83 MRGPRX4 (0.41) CXCR5HTR2AHTR2CLMNAALDH1A1
SCHEMBL7736471 0.80 HTR2A (0.37) CXCR5HTR2AHTR2CLMNAALDH1A1
SCHEMBL7736468 0.80 HTR2A (0.37) CXCR5HTR2AHTR2CLMNAALDH1A1
SCHEMBL8470973 0.75 FOLH1 (0.50) CXCR5HTR2AHTR2CLMNAALDH1A1
SCHEMBL8470980 0.75 FOLH1 (0.50) CXCR5HTR2AHTR2CLMNAALDH1A1
SCHEMBL8447505 0.74 FOLH1 (0.49) CXCR5HTR2AHTR2CLMNAALDH1A1
SCHEMBL17527894 0.72 MAOA (0.43) HTR2AHTR2CCYP2C9
SCHEMBL452704 0.72 LMNA (0.49) CES2CES1LMNAALDH1A1NAAA

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
EP-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed