SCHEMBL31706835

SCHEMBL31706835

COC(=O)[C@H](CC1CC1)NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.44
▸ ALDH1A1 P00352 3/20 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 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ XIAP P98170 1/20 0.35

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
SCHEMBL31705744 0.91 P2RX7 (0.41) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706618 0.90 CYP2D6 (0.50) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31705761 0.90 P2RX7 (0.43) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706535 0.86 P2RX7 (0.44) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706017 0.85 P2RX7 (0.46) P2RX7USP2TP53MDM2
SCHEMBL31706830 0.85 P2RX7 (0.43) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706974 0.84 ITGB1 (0.47) P2RX7CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL31706989 0.83 P2RX7 (0.39) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706967 0.81 GRN (0.43) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL30862574 0.81 P2RX7 (0.47) P2RX7MAPTHTTGAAMEN1

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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