SCHEMBL31705783

SCHEMBL31705783

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 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
SCHEMBL31705655 0.93 CTSL (0.44) CTSLALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31706325 0.91 ALDH1A1 (0.43) CTSLALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31706114 0.91 KMT2A (0.39) CTSLALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31707058 0.89 P2RX7 (0.46) CTSLKMT2ANPC1P2RX7PSMB5
SCHEMBL31705802 0.88 KMT2A (0.49) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31705319 0.87 CTSL (0.43) CTSLALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31705151 0.86 METAP2 (0.39) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31705423 0.84 P2RX7 (0.44) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL30862585 0.83 P2RX7 (0.48) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL30862586 0.83 P2RX7 (0.48) 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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