SCHEMBL31551529

SCHEMBL31551529

Cc1ccc(COC(=O)[C@H](CC2CC2)NC(=O)C[C@@H]2CCC(=O)N2Cc2cc(F)cc(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ USP2 O75604 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
SCHEMBL31551527 0.94 POLB (0.35) KMT2AGAAALDH1A1HDAC1HDAC2
SCHEMBL31551188 0.93 TACR1 (0.35) KMT2AGAAITGB1ITGA4P2RX7
SCHEMBL31551223 0.92 ALDH1A1 (0.37) KMT2AGAAALDH1A1MAPTHDAC1
SCHEMBL31551362 0.92 P2RX7 (0.34) HDAC1HDAC2ITGB1ITGA4P2RX7
SCHEMBL31551470 0.92 P2RX7 (0.39) ALDH1A1HDAC1HDAC2CYP3A4CYP2C9
SCHEMBL31551213 0.92 HDAC1 (0.35) KMT2AMAPTSMN1; SMN2HDAC1HDAC2
SCHEMBL31551235 0.92 POLB (0.37) KMT2AMAPTHDAC1HDAC2GFER
SCHEMBL31551627 0.91 P2RX7 (0.36) HDAC1HDAC2ITGB1ITGA4P2RX7
SCHEMBL31551334 0.91 P2RX7 (0.38) KMT2AGAAITGB1ITGA4P2RX7
SCHEMBL31551233 0.91 P2RX7 (0.42) KMT2AGAAALDH1A1MAPTKDM4E

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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