SCHEMBL30567108

SCHEMBL30567108

COc1cccc(Oc2ccccc2NC(=O)[C@H](CCC(=O)O)NC(=O)c2cccc3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.52
▸ PYGM P11217 1/20 0.46
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTNNB1 P35222 4/20 0.42
▸ PYGL P06737 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL25387001 1.00 MTNR1B (0.52) MTNR1BPYGMMEN1KMT2ALMNA
SCHEMBL25386999 1.00 MTNR1B (0.52) MTNR1BPYGMMEN1KMT2ALMNA
SCHEMBL31595519 1.00 MTNR1B (0.52) MTNR1BPYGMMEN1KMT2ALMNA
SCHEMBL26264484 0.92 PPARG (0.45) MEN1KMT2ALMNAPYGLRAB9A
SCHEMBL26264485 0.92 PPARG (0.45) MEN1KMT2ALMNAPYGLRAB9A
SCHEMBL30567109 0.89 MTNR1B (0.48) MTNR1BPYGMMEN1KMT2ALMNA
SCHEMBL25386646 0.84 MTNR1B (0.53) MTNR1BPYGMMEN1KMT2ALMNA
SCHEMBL25386647 0.84 MTNR1B (0.53) MTNR1BPYGMMEN1KMT2ALMNA
SCHEMBL31595489 0.84 MTNR1B (0.53) MTNR1BPYGMMEN1KMT2ALMNA
SCHEMBL30567131 0.84 MTNR1B (0.53) MTNR1BPYGMMEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4490142-A2 PCNA INHIBITORS AND USES THEREOF City of Hope (US) 2025-01-15 — — EP disclosed
CN-119013247-A PCNA inhibitor and use thereof 希望之城 2024-11-22 — — CN disclosed
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 — — WO disclosed
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