SCHEMBL31706625

SCHEMBL31706625

CO[C@H](C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 6/20 0.38
▸ ITGA4 P13612 6/20 0.38
▸ P2RX7 Q99572 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ GRN P28799 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PKM P14618 1/20 0.33

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
SCHEMBL31706128 0.91 P2RX7 (0.45) ITGB1ITGA4P2RX7HDAC1HDAC2
SCHEMBL31706821 0.90 SDCBP (0.38) ITGB1ITGA4P2RX7KMT2AMAPT
SCHEMBL31706533 0.89 ITGB1 (0.45) ITGB1ITGA4P2RX7KMT2AGAA
SCHEMBL31706964 0.89 TSHR (0.37) ITGB1ITGA4P2RX7KMT2AMAPT
SCHEMBL31705678 0.86 KMT2A (0.38) ITGB1ITGA4P2RX7KMT2AMAPT
SCHEMBL31706981 0.85 P2RX7 (0.43) ITGB1ITGA4P2RX7KMT2AMAPT
SCHEMBL31705793 0.84 P2RX7 (0.39) ITGB1ITGA4P2RX7KMT2AMAPT
SCHEMBL31706035 0.84 METAP2 (0.40) ITGB1ITGA4P2RX7ALDH1A1CYP2D6
SCHEMBL31706962 0.83 CYP2D6 (0.50) P2RX7KMT2AMAPTGAAMEN1
SCHEMBL31706829 0.82 CAPN1 (0.43) ITGB1ITGA4P2RX7KMT2AGAA

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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