SCHEMBL31706325

SCHEMBL31706325

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40

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
SCHEMBL31705319 0.91 CTSL (0.43) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31705783 0.91 CTSL (0.44) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31705736 0.90 TSHR (0.39) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31705403 0.89 ITGB1 (0.46) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31706035 0.86 METAP2 (0.40) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31705655 0.85 CTSL (0.44) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31706402 0.85 ITGB1 (0.43) KMT2ANPC1RAB9AP2RX7CTSL
SCHEMBL31705296 0.85 P2RX7 (0.40) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31705730 0.83 P2RX7 (0.45) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31706821 0.82 SDCBP (0.38) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19

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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