SCHEMBL29448335

SCHEMBL29448335

O=C(O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(=O)O)c1c26)c53)C(=O)OC4=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.65
▸ CYP1A2 P05177 1/20 0.50
▸ CA12 O43570 5/20 0.39
▸ CA7 P43166 5/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA4 P22748 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ RECQL P46063 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ CASP6 P55212 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL234674 1.00 TYMS (0.65) TYMSCYP1A2CA12CA7CA1
SCHEMBL29448334 1.00 TYMS (0.65) TYMSCYP1A2CA12CA7CA1
Potassium SCHEMBL7487575 0.98 TYMS (0.63) TYMSCYP1A2CA12CA7CA1
SCHEMBL3413891 0.93 TYMS (0.68) TYMSCYP1A2CA12CA7CA1
Potassium Ion SCHEMBL7487570 0.91 TYMS (0.55) TYMSCYP1A2CA12CA7CA1
SCHEMBL7775015 0.89 TYMS (0.53) TYMSCYP1A2CA12CA7CA1
SCHEMBL16847280 0.89 TYMS (0.56) TYMSCYP1A2CA12CA7CA1
SCHEMBL12593637 0.89 TYMS (0.68) TYMSCYP1A2CA12CA7CA1
SCHEMBL475960 0.88 TYMS (0.79) TYMSCYP1A2CA12CA7CA1
SCHEMBL10050034 0.86 TYMS (0.54) TYMSCYP1A2CA12CA7CA1

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-110305328-B Dendritic visible light initiator and preparation method and application thereof 常熟理工学院 2022-03-04 — — CN disclosed
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