SCHEMBL31707062

SCHEMBL31707062

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SDCBP O00560 2/20 0.40
▸ SDC2 P34741 2/20 0.40
▸ XIAP P98170 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL31706273 0.91 SDCBP (0.40) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31706981 0.91 P2RX7 (0.43) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31705730 0.91 P2RX7 (0.45) P2RX7MAPTHTTALDH1A1MEN1
SCHEMBL31706535 0.91 P2RX7 (0.44) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31706553 0.88 CYP2D6 (0.48) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31706830 0.85 P2RX7 (0.43) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31705761 0.85 P2RX7 (0.43) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31706821 0.84 SDCBP (0.38) P2RX7MAPTHTTALDH1A1MEN1
SCHEMBL31705414 0.83 P2RX7 (0.52) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31705403 0.83 ITGB1 (0.46) P2RX7ALDH1A1CYP2D6CYP2C9CYP2C19

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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