SCHEMBL31706017

SCHEMBL31706017

COC(=O)[C@H](CC1CC1)NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.46
▸ CTSL P07711 1/20 0.45
▸ USP2 O75604 1/20 0.40
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ MDM2 Q00987 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CAPN1 P07384 1/20 0.38

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
SCHEMBL31706974 0.92 ITGB1 (0.47) P2RX7CTSLITGB1ITGA4CAPN1
SCHEMBL31705164 0.90 P2RX7 (0.46) P2RX7CTSLITGB1ITGA4TP53
SCHEMBL31707058 0.86 P2RX7 (0.46) P2RX7CTSLUSP2TP53MDM2
SCHEMBL31706835 0.85 P2RX7 (0.44) P2RX7USP2TP53MDM2
SCHEMBL31705665 0.85 P2RX7 (0.45) P2RX7CTSLUSP2ITGB1ITGA4
SCHEMBL31706618 0.84 CYP2D6 (0.50) P2RX7
SCHEMBL31706989 0.83 P2RX7 (0.39) P2RX7
SCHEMBL31705417 0.83 CTSL (0.36) P2RX7CTSLITGB1ITGA4
SCHEMBL31706398 0.81 ITGB1 (0.52) P2RX7ITGB1ITGA4CAPN1
SCHEMBL31706314 0.81 P2RX7 (0.52) P2RX7CTSLUSP2TP53MDM2

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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