SCHEMBL31551632

SCHEMBL31551632

CO[C@H](C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.45
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL31551224 0.94 P2RX7 (0.45) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551633 0.94 P2RX7 (0.45) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551611 0.92 P2RX7 (0.48) P2RX7POLBGPR119
SCHEMBL31551583 0.90 P2RX7 (0.44) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL30862575 0.90 P2RX7 (0.47) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551275 0.89 P2RX7 (0.44) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551345 0.89 P2RX7 (0.43) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551595 0.89 P2RX7 (0.44) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL30862570 0.88 P2RX7 (0.47) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL31551228 0.88 P2RX7 (0.44) P2RX7POLBALDH1A1MEN1KMT2A

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-2025080861-A1 5-MEMBERED RING-BASED MOLECULES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2025-04-17 — — WO disclosed
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