SCHEMBL31551479

SCHEMBL31551479

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)[C@@H](C)OC)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.43
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ XIAP P98170 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ SLC1A2 P43004 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL31551196 1.00 P2RX7 (0.43) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551595 0.97 P2RX7 (0.44) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551579 0.95 P2RX7 (0.46) P2RX7POLBMEN1KMT2APSMB5
SCHEMBL31551594 0.95 P2RX7 (0.46) P2RX7POLBMEN1KMT2APSMB5
SCHEMBL31551181 0.95 P2RX7 (0.46) P2RX7POLBMEN1KMT2APSMB5
SCHEMBL31551345 0.94 P2RX7 (0.43) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL30862570 0.93 P2RX7 (0.47) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL30862586 0.93 P2RX7 (0.48) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL30862585 0.93 P2RX7 (0.48) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551238 0.93 P2RX7 (0.43) P2RX7POLBALDH1A1MEN1KMT2A

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-2025080861-A1 5-MEMBERED RING-BASED MOLECULES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2025-04-17 — — WO disclosed
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