SCHEMBL31706535

SCHEMBL31706535

COC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(Cl)ccc1Cl)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2D6 P10635 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ XIAP P98170 1/20 0.38
▸ USP2 O75604 1/20 0.36

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
SCHEMBL31706830 0.93 P2RX7 (0.43) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706840 0.92 P2RX7 (0.40) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31705423 0.91 P2RX7 (0.44) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31707062 0.91 P2RX7 (0.43) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706972 0.89 ALDH1A1 (0.53) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706981 0.87 P2RX7 (0.43) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706835 0.86 P2RX7 (0.44) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31707058 0.85 P2RX7 (0.46) P2RX7MEN1KMT2AUSP2
SCHEMBL31706531 0.85 P2RX7 (0.39) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31705678 0.85 KMT2A (0.38) P2RX7ALDH1A1MAPTHTTGAA

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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