SCHEMBL31551625

SCHEMBL31551625

Cc1ccc(COC(=O)[C@@H](NC(=O)C[C@@H]2CCC(=O)N2Cc2cccc(F)c2F)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.43
▸ GAA P10253 2/20 0.40
▸ IL1RN P18510 1/20 0.39
▸ ERAP2 Q6P179 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CTRC Q99895 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL31551514 0.94 P2RX7 (0.44) P2RX7GAAIL1RNERAP2ERAP1
SCHEMBL31551508 0.94 IL1RN (0.45) P2RX7IL1RNERAP2ERAP1KMT2A
SCHEMBL31551194 0.93 P2RX7 (0.42) P2RX7GAAKMT2AALDH1A1KDM4E
SCHEMBL31551541 0.93 P2RX7 (0.43) P2RX7GAAIL1RNERAP2ERAP1
SCHEMBL31551648 0.93 P2RX7 (0.43) P2RX7GAAIL1RNERAP2ERAP1
SCHEMBL31551615 0.92 P2RX7 (0.42) P2RX7IL1RNERAP2ERAP1KMT2A
SCHEMBL31551558 0.91 P2RX7 (0.42) P2RX7IL1RNERAP2ERAP1KMT2A
SCHEMBL31551285 0.91 P2RX7 (0.42) P2RX7IL1RNERAP2ERAP1HDAC1
SCHEMBL31551451 0.91 P2RX7 (0.45) P2RX7GAAIL1RNERAP2ERAP1
SCHEMBL31551211 0.91 P2RX7 (0.43) P2RX7IL1RNERAP2ERAP1KMT2A

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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