SCHEMBL31705403

SCHEMBL31705403

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 6/20 0.46
▸ ITGA4 P13612 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ MTNR1A P48039 5/20 0.42
▸ CAPN1 P07384 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ CCR1 P32246 2/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL31705802 0.90 KMT2A (0.49) ITGB1ITGA4ALDH1A1CYP2D6CYP2C9
SCHEMBL31706533 0.89 ITGB1 (0.45) ITGB1ITGA4ALDH1A1CYP2D6CYP2C9
SCHEMBL31706325 0.89 ALDH1A1 (0.43) ITGB1ITGA4ALDH1A1CYP2D6CYP2C9
SCHEMBL31706270 0.89 IL1RN (0.50) ITGB1ITGA4ALDH1A1CYP2D6CYP2C9
SCHEMBL31706553 0.89 CYP2D6 (0.48) ALDH1A1CYP2D6CYP2C9CYP2C19P2RX7
SCHEMBL31706821 0.88 SDCBP (0.38) ITGB1ITGA4ALDH1A1CYP2D6CYP2C9
SCHEMBL31706389 0.87 KLK5 (0.43) ITGB1ITGA4ALDH1A1CYP2D6CYP2C9
SCHEMBL31705293 0.86 SLC1A2 (0.44) ITGB1ITGA4ALDH1A1CYP2D6CYP2C9
SCHEMBL31705736 0.86 TSHR (0.39) ITGB1ITGA4ALDH1A1CYP2D6CYP2C9
SCHEMBL31706829 0.84 CAPN1 (0.43) ITGB1ITGA4ALDH1A1CYP2D6CYP2C9

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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