SCHEMBL31706829

SCHEMBL31706829

COC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1ccccc1)[C@@H](C)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.43
▸ ITGB1 P05556 6/20 0.42
▸ ITGA4 P13612 6/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ P2RX7 Q99572 2/20 0.41
▸ CTSL P07711 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31706533 0.93 ITGB1 (0.45) CAPN1ITGB1ITGA4HDAC1HDAC2
SCHEMBL31705802 0.92 KMT2A (0.49) CAPN1ITGB1ITGA4HDAC1HDAC2
SCHEMBL31705665 0.91 P2RX7 (0.45) ITGB1ITGA4P2RX7CTSL
SCHEMBL31705655 0.89 CTSL (0.44) CYP2D6CYP2C9TSHRALDH1A1CYP2C19
SCHEMBL31706965 0.89 CYP2D6 (0.50) CYP2D6CYP2C9ALDH1A1CYP2C19KMT2A
SCHEMBL31705395 0.87 SLC1A2 (0.39) CYP2D6CYP2C9CYP2C19KMT2AMEN1
SCHEMBL31705304 0.86 CTSL (0.36) ITGB1ITGA4HDAC1HDAC2CYP2D6
SCHEMBL31706128 0.85 P2RX7 (0.45) ITGB1ITGA4HDAC1HDAC2P2RX7
SCHEMBL31705403 0.84 ITGB1 (0.46) CAPN1ITGB1ITGA4HDAC1HDAC2
SCHEMBL31706270 0.84 IL1RN (0.50) CAPN1ITGB1ITGA4HDAC1HDAC2

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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