SCHEMBL31522180

SCHEMBL31522180

COc1cc(C)cc(Oc2ccccc2NC(=O)CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL31522182 0.94 POLB (0.44) MTNR1BALDH1A1KMT2APKMLMNA
SCHEMBL26270707 0.89 MTNR1B (0.64) MTNR1BALDH1A1KMT2APKMLMNA
SCHEMBL31522156 0.82 LMNA (0.43) MTNR1BALDH1A1MEN1KMT2ALMNA
SCHEMBL31522153 0.80 ADRA2C (0.65) MTNR1BALDH1A1MEN1KMT2ALMNA
SCHEMBL21581622 0.79 GRM5 (0.40) MEN1KMT2AL3MBTL1KDM4E
SCHEMBL17414151 0.78 LPAR1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL25388312 0.77 MTNR1B (0.70) MTNR1BALDH1A1KMT2APKMLMNA
SCHEMBL31522178 0.77 MTNR1B (0.50) MTNR1BALDH1A1KMT2APKMLMNA
SCHEMBL31060089 0.76 MTNR1B (0.46) MTNR1BALDH1A1LMNASMN1; SMN2POLB
SCHEMBL15145782 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TSHRL3MBTL1GAA

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
WO-2025054318-A1 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2025-03-13 — — WO disclosed
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