SCHEMBL31706978

SCHEMBL31706978

O=C(C[C@@H]1CCC(=O)N1Cc1ccccc1F)N[C@@H](CC1CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.42
▸ ITGA4 P13612 2/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ P2RX7 Q99572 3/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ CAPN1 P07384 2/20 0.38
▸ GRM7 Q14831 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ VCP P55072 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL30862584 0.92 P2RX7 (0.47) ITGB1ITGA4KMT2AP2RX7CAPN1
SCHEMBL31705653 0.91 ITGB1 (0.40) ITGB1ITGA4KMT2AP2RX7MAPT
SCHEMBL31706737 0.89 GRN (0.39) ITGB1ITGA4SIGMAR1P2RX7GRN
SCHEMBL31706967 0.89 GRN (0.43) ITGB1ITGA4KMT2AP2RX7MAPT
SCHEMBL31706542 0.88 HTT (0.50) ITGB1ITGA4KMT2AP2RX7MAPT
SCHEMBL31706282 0.88 P2RX7 (0.49) ITGB1ITGA4KMT2AP2RX7MAPT
SCHEMBL31706398 0.87 ITGB1 (0.52) ITGB1ITGA4P2RX7CAPN1GRN
SCHEMBL30862571 0.85 GRN (0.36) ITGB1ITGA4P2RX7CAPN1GRN
SCHEMBL31705155 0.84 P2RX7 (0.43) ITGB1ITGA4KMT2AP2RX7MAPT
SCHEMBL31706402 0.83 ITGB1 (0.43) ITGB1ITGA4KMT2ASIGMAR1P2RX7

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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