SCHEMBL31551508

SCHEMBL31551508

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 1/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45
▸ P2RX7 Q99572 4/20 0.44
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ELANE P08246 4/20 0.37
▸ CAPN1 P07384 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CASP1 P29466 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CASP8 Q14790 1/20 0.36

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) IL1RNERAP2ERAP1P2RX7HDAC1
SCHEMBL31551625 0.94 P2RX7 (0.43) IL1RNERAP2ERAP1P2RX7HDAC1
SCHEMBL31551211 0.93 P2RX7 (0.43) IL1RNERAP2ERAP1P2RX7HDAC1
SCHEMBL31551648 0.93 P2RX7 (0.43) IL1RNERAP2ERAP1P2RX7HDAC1
SCHEMBL31551541 0.93 P2RX7 (0.43) IL1RNERAP2ERAP1P2RX7HDAC1
SCHEMBL31551531 0.93 P2RX7 (0.43) IL1RNERAP2ERAP1P2RX7HDAC1
SCHEMBL31551615 0.92 P2RX7 (0.42) IL1RNERAP2ERAP1P2RX7HDAC1
SCHEMBL31551216 0.92 P2RX7 (0.43) IL1RNERAP2ERAP1P2RX7HDAC1
SCHEMBL31551558 0.91 P2RX7 (0.42) IL1RNERAP2ERAP1P2RX7HDAC1
SCHEMBL31551451 0.91 P2RX7 (0.45) IL1RNERAP2ERAP1P2RX7ALDH1A1

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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