SCHEMBL29954142

SCHEMBL29954142

Cc1c(O)ccc2c(=O)c(C=O)coc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.54
▸ POLB P06746 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MAOB P27338 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ ESR2 Q92731 5/20 0.43
▸ ESR1 P03372 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTPN2 P17706 1/20 0.41

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
SCHEMBL21591443 0.84 PTPN1 (0.56) PTPN1POLBMEN1KMT2AMAOB
SCHEMBL29951632 0.84 PTPN1 (0.56) PTPN1POLBMEN1KMT2AMAOB
SCHEMBL1306154 0.84 PTPN1 (0.56) PTPN1POLBMEN1KMT2AMAOB
SCHEMBL232035 0.74 PKM (0.60) POLBMEN1KMT2APKMALOX15
SCHEMBL4300469 0.73 ALOX15 (0.74) POLBPKMALOX15ALOX12KDM4E
SCHEMBL10562056 0.73 ALOX15 (0.79) PTPN1POLBMEN1KMT2APKM
SCHEMBL330038 0.73 XDH (0.74) POLBMAOBPKMMAOAALOX15
SCHEMBL15477703 0.72 ATP1A1 (0.64) MAOBMAOAESR2ESR1KDM4E
SCHEMBL14142318 0.71 POLB (0.49) PTPN1POLBMEN1KMT2AMAOB
SCHEMBL5139795 0.71 ALOX15 (0.75) POLBMEN1KMT2APKMALOX15

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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