SCHEMBL31551176

SCHEMBL31551176

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.37
▸ P2RX7 Q99572 13/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL30862568 0.91 P2RX7 (0.33) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31705668 0.91 P2RX7 (0.37) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL30862580 0.91 RIPK1 (0.36) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551201 0.90 RIPK1 (0.36) RIPK1P2RX7
SCHEMBL31551474 0.89 RIPK1 (0.35) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31705296 0.89 P2RX7 (0.40) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31551454 0.88 RIPK1 (0.39) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551351 0.87 P2RX7 (0.34) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551463 0.87 P2RX7 (0.34) RIPK1P2RX7ALDH1A1CYP2D6CYP2C9
SCHEMBL31551309 0.87 RIPK1 (0.34) 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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