SCHEMBL31551558

SCHEMBL31551558

COC(=O)c1ccc(COC(=O)[C@@H](NC(=O)C[C@@H]2CCC(=O)N2Cc2cccc(F)c2F)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.42
▸ ELANE P08246 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ IL1RN P18510 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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 0.92 P2RX7 (0.44) P2RX7ELANEHDAC1HDAC2IL1RN
SCHEMBL31551615 0.92 P2RX7 (0.42) P2RX7ELANEHDAC1HDAC2IL1RN
SCHEMBL31551625 0.91 P2RX7 (0.43) P2RX7ELANEHDAC1HDAC2IL1RN
SCHEMBL31551508 0.91 IL1RN (0.45) P2RX7ELANEHDAC1HDAC2IL1RN
SCHEMBL31551541 0.91 P2RX7 (0.43) P2RX7HDAC1HDAC2IL1RNERAP2
SCHEMBL31551648 0.91 P2RX7 (0.43) P2RX7ELANEHDAC1HDAC2IL1RN
SCHEMBL31551285 0.89 P2RX7 (0.42) P2RX7ELANEHDAC1HDAC2IL1RN
SCHEMBL31551451 0.89 P2RX7 (0.45) P2RX7IL1RNERAP2ERAP1ALDH1A1
SCHEMBL31551211 0.89 P2RX7 (0.43) P2RX7ELANEHDAC1HDAC2IL1RN
SCHEMBL31551172 0.89 P2RX7 (0.43) P2RX7HDAC1HDAC2IL1RNERAP2

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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