SCHEMBL31551457

SCHEMBL31551457

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(=O)SCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.44
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ TP53 P04637 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
SCHEMBL31551377 0.93 P2RX7 (0.44) P2RX7MEN1GAAKMT2APOLB
SCHEMBL31551177 0.89 P2RX7 (0.44) P2RX7POLB
SCHEMBL31551239 0.89 P2RX7 (0.44) P2RX7POLB
SCHEMBL31551298 0.88 P2RX7 (0.46) P2RX7POLBALDH1A1
SCHEMBL31551503 0.88 P2RX7 (0.45) P2RX7MEN1GAAKMT2AALDH1A1
SCHEMBL31551509 0.88 P2RX7 (0.45) P2RX7MEN1GAAKMT2AALDH1A1
SCHEMBL31551216 0.88 P2RX7 (0.43) P2RX7MEN1GAAKMT2APOLB
SCHEMBL31551291 0.87 P2RX7 (0.50) P2RX7POLBALDH1A1
SCHEMBL31551534 0.86 P2RX7 (0.50) P2RX7MEN1KMT2APOLBALDH1A1
SCHEMBL31551508 0.86 IL1RN (0.45) P2RX7MEN1KMT2AALDH1A1CYP2D6

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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