SCHEMBL31706964

SCHEMBL31706964

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ P2RX7 Q99572 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ITGB1 P05556 2/20 0.36
▸ ITGA4 P13612 2/20 0.36
▸ CTSL P07711 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 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
SCHEMBL31705304 0.92 CTSL (0.36) TSHRALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL31705319 0.91 CTSL (0.43) TSHRALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL31705736 0.90 TSHR (0.39) TSHRALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL31706625 0.89 ITGB1 (0.38) TSHRALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL31706533 0.87 ITGB1 (0.45) TSHRALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL30862568 0.87 P2RX7 (0.33) TSHRALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL31706114 0.86 KMT2A (0.39) TSHRALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL31706979 0.85 P2RX7 (0.38) TSHRALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL31706035 0.84 METAP2 (0.40) TSHRALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL31706128 0.83 P2RX7 (0.45) P2RX7ITGB1ITGA4CTSLHDAC1

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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