SCHEMBL28637422

SCHEMBL28637422

C=C(C)C(=O)OCCc1c(C(=O)O)ccc2c1C(=O)OC2=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TYMS P04818 1/20 0.37
THRB P10828 1/20 0.35
TSHR P16473 2/20 0.32
CA1 P00915 4/20 0.31
CA12 O43570 3/20 0.31
CA7 P43166 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 2/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA4 P22748 2/20 0.30

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
SCHEMBL28348518 0.85 THRB (0.37) POLBAPEX1HTTTDP1THRB
SCHEMBL8150164 0.82 TDP1 (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL30059704 0.80 TYMS (0.50) POLBHTTTDP1TYMSTHRB
SCHEMBL1535476 0.79 TDP1 (0.47) POLBAPEX1HTTTDP1THRB
SCHEMBL29499602 0.78 TYMS (0.47) POLBTDP1TYMSTHRBCA1
SCHEMBL64565 0.78 THRB (0.39) POLBAPEX1HTTTDP1TYMS
SCHEMBL1269728 0.77 POLB (0.45) POLBAPEX1HTTTDP1THRB
SCHEMBL27383301 0.77 POLB (0.45) POLBAPEX1HTTTDP1THRB
SCHEMBL27934911 0.75 TYMS (0.47) POLBTYMSTHRBCA1CA12
SCHEMBL2059836 0.75 POLB (0.41) POLBAPEX1HTTTDP1TYMS

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-112689646-B Radiation curable composition for rapid prototyping or rapid manufacturing processes 古莎有限公司 2023-05-09 CN disclosed
CN-112689646-A Radiation curable compositions for rapid prototyping or rapid manufacturing processes 古莎有限公司 2021-04-20 CN disclosed