SCHEMBL29117894

SCHEMBL29117894

C=CC(=O)Oc1cccc2c3ccccc3c3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.51
▸ THRB P10828 5/20 0.47
▸ THRA P10827 1/20 0.47
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ HSD17B10 Q99714 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 4/20 0.37
▸ PGR P06401 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ USP2 O75604 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
SCHEMBL29733229 0.88 TYMS (0.45) TYMSTHRBTHRAHSD17B10HPGD
SCHEMBL18600610 0.86 TYMS (0.44) TYMSTHRBTHRAESR1ESR2
SCHEMBL1508109 0.85 TYMS (0.56) TYMSTHRBTHRAESR1ESR2
SCHEMBL30342255 0.85 TYMS (0.56) TYMSTHRBTHRAESR1ESR2
SCHEMBL3841280 0.82 THRB (0.56) TYMSTHRBTHRAESR1ESR2
SCHEMBL29413361 0.82 THRB (0.56) TYMSTHRBTHRAESR1ESR2
SCHEMBL9771679 0.82 TYMS (0.49) TYMSTHRBTHRAESR1ESR2
SCHEMBL68437 0.82 ALDH1A1 (0.56) TYMSTHRBTHRAESR1ESR2
SCHEMBL29374139 0.82 ALDH1A1 (0.56) TYMSTHRBTHRAESR1ESR2
SCHEMBL31155341 0.81 TYMS (0.47) TYMSTHRBTHRAHSD17B10HPGD

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-116981758-A Thermally responsive brush polymers having a copolymer backbone and copolymer arms 英菲诺姆国际有限公司 2023-10-31 — — CN disclosed
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