SCHEMBL31551528

SCHEMBL31551528

C=CCOC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)[C@@H](C)OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.43
▸ POLB P06746 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL31551273 0.93 P2RX7 (0.44) P2RX7POLBGPR119ALDH1A1
SCHEMBL30862570 0.91 P2RX7 (0.47) P2RX7POLBGPR119ALDH1A1MEN1
SCHEMBL31551455 0.90 P2RX7 (0.45) P2RX7POLBGPR119ALDH1A1MEN1
SCHEMBL31551635 0.90 P2RX7 (0.47) P2RX7POLBGPR119ALDH1A1MEN1
SCHEMBL31551574 0.89 RIPK1 (0.32) P2RX7
SCHEMBL31551621 0.89 P2RX7 (0.46) P2RX7POLBGPR119ALDH1A1MEN1
SCHEMBL31551282 0.88 P2RX7 (0.43) P2RX7POLBGPR119ALDH1A1MEN1
SCHEMBL31551371 0.88 P2RX7 (0.43) P2RX7POLBGPR119ALDH1A1MEN1
SCHEMBL31551595 0.88 P2RX7 (0.44) P2RX7POLBGPR119ALDH1A1MEN1
SCHEMBL30862575 0.88 P2RX7 (0.47) P2RX7POLBGPR119ALDH1A1MEN1

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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