SCHEMBL28630457

SCHEMBL28630457

C=CC(=O)OC(Cc1cccc(C(F)(F)F)c1)C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CES2 O00748 1/20 0.41
PNMT P11086 1/20 0.41
EPHX1 P07099 3/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 3/20 0.39
TEAD1 P28347 2/20 0.39
USP2 O75604 2/20 0.39
CYP3A4 P08684 2/20 0.39
NR1I2 O75469 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL28922018 0.83 HTR2A (0.44) ACP3HTR2AHTR2CHTR2BCES2
SCHEMBL28631469 0.75 HTR2A (0.55) ACP3HTR2AHTR2CHTR2BCES2
SCHEMBL2036674 0.72 PRKCA (0.59) ACP3TEAD1
SCHEMBL28619860 0.71 PPARG (0.42) HTR2AEPHX1PPARGPPARACYP1A2
SCHEMBL28616473 0.71 TEAD1 (0.40) EPHX1PPARGPPARATEAD1
SCHEMBL10897270 0.69 HTR2A (0.56) ACP3HTR2AHTR2CHTR2BEPHX1
SCHEMBL4261485 0.69 LMNA (0.50) ACP3HTR2AHTR2CHTR2BEPHX1
SCHEMBL805257 0.68 PNMT (0.56) ACP3CES2PNMT
SCHEMBL11380932 0.68 HTR2A (0.54) ACP3HTR2AHTR2CHTR2BPNMT
SCHEMBL19040919 0.68 HTR2A (0.71) ACP3HTR2AHTR2CHTR2BPNMT

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
CN-109641831-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2021-09-10 CN disclosed