SCHEMBL31551211

SCHEMBL31551211

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(=O)OCc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.43
▸ IL1RN P18510 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ CHRM4 P08173 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
SCHEMBL31551508 0.93 IL1RN (0.45) P2RX7IL1RNERAP2ERAP1ELANE
SCHEMBL31551354 0.92 P2RX7 (0.42) P2RX7IL1RNERAP2ERAP1ELANE
SCHEMBL31551514 0.92 P2RX7 (0.44) P2RX7IL1RNERAP2ERAP1ELANE
SCHEMBL31551226 0.92 P2RX7 (0.41) P2RX7IL1RNERAP2ERAP1ELANE
SCHEMBL31551625 0.91 P2RX7 (0.43) P2RX7IL1RNERAP2ERAP1ELANE
SCHEMBL31551285 0.91 P2RX7 (0.42) P2RX7IL1RNERAP2ERAP1ELANE
SCHEMBL31551541 0.91 P2RX7 (0.43) P2RX7IL1RNERAP2ERAP1POLB
SCHEMBL31551648 0.91 P2RX7 (0.43) P2RX7IL1RNERAP2ERAP1ELANE
SCHEMBL31551615 0.90 P2RX7 (0.42) P2RX7IL1RNERAP2ERAP1ELANE
SCHEMBL31551573 0.90 P2RX7 (0.40) P2RX7IL1RNERAP2ERAP1ELANE

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
Send feedback