SCHEMBL29079352

SCHEMBL29079352

C=Cc1ccc(NC(=O)CCc2ccc(O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.55
MAPT P10636 3/20 0.51
CYP1A1 P04798 1/20 0.51
HTT P42858 1/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
TOP2A P11388 1/20 0.49
TOP2B Q02880 1/20 0.49
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL13776958 0.80 HDAC2 (0.59) TRPV1MAPTCYP1A1HTTHDAC2
SCHEMBL11705109 0.80 TRPV1 (0.82) TRPV1MAPTCYP1A1HTTHDAC2
SCHEMBL12915848 0.80 MAPT (0.80) TRPV1MAPTCYP1A1HTTHDAC2
SCHEMBL31403387 0.79 GAA (0.58) TRPV1MAPTHTTHDAC2HDAC8
SCHEMBL29079369 0.78 PPARA (0.52) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL29079343 0.77 TRPV1 (0.55) TRPV1MAPTCYP1A1HTTHDAC2
SCHEMBL29079375 0.77 HDAC2 (0.55) TRPV1MAPTCYP1A1HTTHDAC2
SCHEMBL13675964 0.77 TRPV1 (0.62) TRPV1MAPTCYP1A1HTTHDAC2
SCHEMBL7326381 0.77 ALDH1A1 (0.58) TRPV1MAPTCYP1A1HTTHDAC2
SCHEMBL8426259 0.76 THRB (0.50) MAPTCYP1A1HTTHDAC2HDAC1

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
CN-117417279-A Phenoxyacetic acid compound, isomer thereof, pharmaceutically acceptable salt or solvate thereof, pharmaceutical composition and medical application 中国人民解放军军事科学院军事医学研究院 2024-01-19 CN disclosed
CN-116803977-A Preparation method and application of phenoxyacetic acid derivative 中国人民解放军军事科学院军事医学研究院 2023-09-26 CN disclosed