SCHEMBL29257646

SCHEMBL29257646

CC(C)C(=O)O.CCC(=O)OCCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.47
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL868517 0.92 THRB (0.59) THRBHTTTDP1RAB9ANPC1
SCHEMBL25282287 0.90 THRB (0.57) THRBHTTTDP1RAB9ANPC1
Propionic Acid SCHEMBL17748849 0.88 THRB (0.56) THRBHTTTDP1RAB9ANPC1
SCHEMBL13279930 0.87 THRB (0.54) THRBTDP1RAB9ANPC1SMN1; SMN2
Ethyl Propionate SCHEMBL1868753 0.87 TDP1 (0.58) THRBHTTTDP1RAB9ANPC1
SCHEMBL6560876 0.87 THRB (0.54) THRBHTTTDP1RAB9ANPC1
Propionic Acid SCHEMBL29257644 0.84 THRB (0.51) THRBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL14517745 0.83 HTT (0.66) THRBHTTTDP1RAB9ANPC1
SCHEMBL1871138 0.83 THRB (0.57) THRBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL113298 0.83 THRB (0.57) THRBTDP1RAB9ANPC1SMN1; SMN2

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-118048210-A Detergent composition 广州立白企业集团有限公司 2024-05-17 CN disclosed