SCHEMBL31551474

SCHEMBL31551474

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.35
▸ P2RX7 Q99572 13/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL30862580 0.93 RIPK1 (0.36) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551580 0.92 P2RX7 (0.34) RIPK1P2RX7ALDH1A1TDP1
SCHEMBL31551351 0.91 P2RX7 (0.34) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551309 0.91 RIPK1 (0.34) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551341 0.90 RIPK1 (0.35) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551557 0.90 RIPK1 (0.33) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551473 0.89 RIPK1 (0.36) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551176 0.89 RIPK1 (0.37) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551600 0.88 IL1RN (0.42) P2RX7ALDH1A1TDP1CYP2D6CYP2C9
SCHEMBL31551365 0.88 RIPK1 (0.33) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9

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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