SCHEMBL30862568

SCHEMBL30862568

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 9/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ GYS1 P13807 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 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
SCHEMBL30862579 0.93 P2RX7 (0.33) P2RX7RIPK1TSHRALDH1A1CYP2D6
SCHEMBL31551176 0.91 RIPK1 (0.37) P2RX7RIPK1ITGB1ITGA4TSHR
SCHEMBL31551271 0.91 P2RX7 (0.34) P2RX7RIPK1PKM
SCHEMBL31551580 0.91 P2RX7 (0.34) P2RX7RIPK1ALDH1A1
SCHEMBL31706979 0.89 P2RX7 (0.38) P2RX7TSHRALDH1A1CYP2D6CYP2C9
SCHEMBL31551542 0.89 P2RX7 (0.33) P2RX7RIPK1TSHRALDH1A1CYP2D6
SCHEMBL31551358 0.89 CTSL (0.32) P2RX7RIPK1
SCHEMBL31551180 0.88 P2RX7 (0.32) P2RX7RIPK1
SCHEMBL31551536 0.88 RIPK1 (0.33) P2RX7RIPK1TSHRALDH1A1CYP2D6
SCHEMBL31551426 0.88 P2RX7 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4601471-A1 SUBSTITUTED 5-MEMBERED RINGS AND THEIR USE AS PESTICIDES Corteva Agriscience LLC (US) 2025-08-20 — — EP disclosed
WO-2025080861-A1 5-MEMBERED RING-BASED MOLECULES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2025-04-17 — — WO disclosed
WO-2024081762-A1 SUBSTITUTED 5-MEMBERED RINGS AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2024-04-18 — — WO disclosed
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