SCHEMBL31551536

SCHEMBL31551536

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1F)[C@@H](C)OC)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ P2RX7 Q99572 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ CTSL P07711 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL30862579 0.93 P2RX7 (0.33) RIPK1P2RX7CTSLALDH1A1CYP2D6
SCHEMBL30862580 0.93 RIPK1 (0.36) RIPK1MEN1KMT2AP2RX7GAA
SCHEMBL31551624 0.93 POLB (0.35) P2RX7CYP2D6CYP2C9
SCHEMBL31551358 0.93 CTSL (0.32) RIPK1P2RX7CTSL
SCHEMBL31551545 0.90 CTSL (0.35) P2RX7PSMB5CTSL
SCHEMBL31551236 0.89 CTSL (0.31) CTSL
SCHEMBL31551196 0.89 P2RX7 (0.43) MEN1KMT2AP2RX7PSMB5ALDH1A1
SCHEMBL31551479 0.89 P2RX7 (0.43) MEN1KMT2AP2RX7PSMB5ALDH1A1
SCHEMBL30862568 0.88 P2RX7 (0.33) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551191 0.88 MEN1 (0.33) RIPK1MEN1KMT2AP2RX7GAA

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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