SCHEMBL31551212

SCHEMBL31551212

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.34
▸ P2RX7 Q99572 3/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ RORC P51449 2/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 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
SCHEMBL31551639 0.93 P2RX7 (0.32) CTSLP2RX7RIPK1PSEN1PSEN2
SCHEMBL31551191 0.92 MEN1 (0.33) CTSLP2RX7RIPK1
SCHEMBL30862576 0.92 P2RX7 (0.34) P2RX7RIPK1
SCHEMBL31551359 0.91 CTSL (0.37) CTSLPSEN1PSEN2APH1BNCSTN
SCHEMBL31551214 0.90 F2RL1 (0.35) CTSLP2RX7
SCHEMBL31551567 0.88 P2RX7 (0.33) CTSLP2RX7RIPK1
SCHEMBL31551483 0.88 CTSL (0.34) CTSLP2RX7RORC
SCHEMBL31551356 0.87 YAP1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31551358 0.87 CTSL (0.32) CTSLP2RX7RIPK1RORC
SCHEMBL31551236 0.87 CTSL (0.31) CTSL

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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