SCHEMBL31551601

SCHEMBL31551601

CCOC(=O)C(CC1CC1)NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.35
▸ RIPK1 Q13546 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CTSB P07858 1/20 0.31

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
SCHEMBL30862576 0.93 P2RX7 (0.34) P2RX7RIPK1
SCHEMBL31551485 0.92 P2RX7 (0.32) P2RX7RIPK1CTSB
SCHEMBL31551567 0.91 P2RX7 (0.33) P2RX7RIPK1ALDH1A1
SCHEMBL31551416 0.90 PREP (0.31) P2RX7RIPK1CTSB
SCHEMBL31551188 0.90 TACR1 (0.35) P2RX7RIPK1
SCHEMBL31551639 0.90 P2RX7 (0.32) P2RX7RIPK1
SCHEMBL31551566 0.90 RIPK1 (0.32) P2RX7RIPK1CTSB
SCHEMBL31551570 0.90 CAPN1 (0.33) P2RX7RIPK1CTSB
SCHEMBL31551529 0.89 KMT2A (0.37) P2RX7ALDH1A1
SCHEMBL31551445 0.89 RIPK1 (0.33) P2RX7RIPK1

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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