SCHEMBL31705296

SCHEMBL31705296

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)ccc1F)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.40
▸ XIAP P98170 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ PER2 O15055 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL31706273 0.91 SDCBP (0.40) P2RX7XIAPALDH1A1
SCHEMBL31706979 0.91 P2RX7 (0.38) P2RX7XIAPALDH1A1CYP2D6CYP2C9
SCHEMBL31705730 0.91 P2RX7 (0.45) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31551176 0.89 RIPK1 (0.37) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31705293 0.88 SLC1A2 (0.44) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31705668 0.87 P2RX7 (0.37) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31706724 0.85 P2RX7 (0.38) P2RX7XIAPALDH1A1RAB9APER2
SCHEMBL31706737 0.85 GRN (0.39) P2RX7XIAPALDH1A1SIGMAR1RAB9A
SCHEMBL31551291 0.85 P2RX7 (0.50) P2RX7ALDH1A1GPR119
SCHEMBL31705736 0.84 TSHR (0.39) P2RX7ALDH1A1CYP2D6CYP2C9TSHR

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-2025217020-A1 SUBSTITUTED 5-MEMBERED RING MOLECULES AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2025-10-16 — — WO disclosed
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