SCHEMBL31551228

SCHEMBL31551228

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.44
▸ 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 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CTSL P07711 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
SCHEMBL31551595 0.94 P2RX7 (0.44) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551275 0.93 P2RX7 (0.44) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551598 0.93 P2RX7 (0.45) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551479 0.93 P2RX7 (0.43) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551196 0.93 P2RX7 (0.43) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL30862570 0.92 P2RX7 (0.47) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551583 0.91 P2RX7 (0.44) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551518 0.91 P2RX7 (0.42) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551238 0.91 P2RX7 (0.43) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551443 0.90 P2RX7 (0.41) 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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