SCHEMBL20176388

SCHEMBL20176388

COC1=CC(=CN=NC=C2C=C(C=O)C(=O)C(C=O)=C2)C=C(OC)C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.50
▸ HKDC1 Q2TB90 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALOX5 P09917 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ TEK Q02763 1/20 0.31

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
SCHEMBL2592758 0.87 TYR (0.63) TYRHKDC1KDM4EMEN1USP2
Benzoquinone SCHEMBL16556227 0.80 TYR (0.55) TYRHKDC1KDM4EMEN1USP2
SCHEMBL20437841 0.73 TYR (0.47) TYRHKDC1KDM4EMEN1USP2
SCHEMBL20465840 0.71 — —
SCHEMBL14280270 0.69 TYR (0.46) TYRHKDC1KDM4EMEN1USP2
SCHEMBL29684687 0.67 TYR (1.00) TYRHKDC1KDM4EMEN1USP2
SCHEMBL14280251 0.65 TYR (0.41) TYRHKDC1KDM4EMEN1USP2
SCHEMBL14306630 0.65 TYR (0.41) TYRHKDC1KDM4EMEN1USP2
SCHEMBL14280249 0.65 TYR (0.41) TYRHKDC1KDM4EMEN1USP2
SCHEMBL13780447 0.63 TYR (0.68) TYRHKDC1KDM4EMEN1USP2

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
US-20180142312-A1 Polypeptides Having Cellobiohydrolase Activity And Polynucleotides Encoding Same NOVOZYMES A/S (DK) 2018-05-24 — — US disclosed
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