SCHEMBL29657635

SCHEMBL29657635

C=C(C)C(=O)OCCOC(=O)c1ccc(C(=O)O)c(C(=O)O)c1.[HH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
THRB P10828 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 3/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ESR1 P03372 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL837846 0.99 POLB (0.50) POLBTDP1APEX1HTTTHRB
SCHEMBL4066747 0.95 POLB (0.47) POLBTDP1APEX1HTTTHRB
SCHEMBL12394952 0.95 POLB (0.47) POLBTDP1APEX1HTTTHRB
SCHEMBL12394951 0.95 POLB (0.47) POLBTDP1APEX1HTTTHRB
SCHEMBL14262501 0.94 POLB (0.49) POLBTDP1APEX1HTTTHRB
SCHEMBL14262508 0.94 TDP1 (0.49) POLBTDP1APEX1HTTTHRB
SCHEMBL11228078 0.93 TDP1 (0.54) POLBTDP1APEX1HTTCDC25A
SCHEMBL19320454 0.93 POLB (0.48) POLBTDP1APEX1HTTTHRB
SCHEMBL544688 0.89 TDP1 (0.56) POLBTDP1APEX1HTTTHRB
SCHEMBL543628 0.89 POLB (0.56) POLBTDP1APEX1HTTTHRB

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
WO-2022145466-A1 ADHESIVE COMPOSITION FOR PHOTOFABRICATION ARTICLES クラレノリタケデンタル株式会社 2022-07-07 WO disclosed