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SCHEMBL31551295

SCHEMBL31551295

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ P2RX7 Q99572 2/20 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
SCHEMBL31551544 0.93 CTSL (0.32) RIPK1CTSL
SCHEMBL31551590 0.93 CTSL (0.32) RIPK1CTSL
SCHEMBL31551289 0.89 P2RX7 (0.43) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31551474 0.88 RIPK1 (0.35) RIPK1ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL30862580 0.88 RIPK1 (0.36) RIPK1ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31551360 0.88 CTSL (0.32) RIPK1CTSLP2RX7
SCHEMBL31551405 0.88 CTSL (0.32) RIPK1CTSLP2RX7
SCHEMBL31551473 0.88 RIPK1 (0.36) RIPK1ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31551417 0.87 RIPK1 (0.34) RIPK1ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31551351 0.86 P2RX7 (0.34) RIPK1ALDH1A1CYP2D6CYP2C9TSHR

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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