SCHEMBL27353159

SCHEMBL27353159

C[C@@H](COc1cc2c(c(C(=O)O)c1)CCCC2)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.33
RXRA P19793 3/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
NLRP3 Q96P20 1/20 0.33
CXCR2 P25025 2/20 0.32
CXCR5 P32302 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
ADAMTS4 O75173 1/20 0.32
METAP2 P50579 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL30995621 1.00 SCN9A (0.33) SCN9ARXRARXRBRXRGNLRP3
SCHEMBL27353151 0.91 ALDH1A1 (0.33) SCN9ANLRP3ALDH1A1LMNAHPGD
SCHEMBL30995629 0.91 ALDH1A1 (0.33) SCN9ANLRP3ALDH1A1LMNAHPGD
SCHEMBL27353079 0.82 CTSK (0.33)
SCHEMBL28840397 0.81 KDM4E (0.40) SCN9AALDH1A1HPGDL3MBTL1NR3C1
SCHEMBL28840431 0.81 KDM4E (0.40) SCN9AALDH1A1HPGDL3MBTL1NR3C1
SCHEMBL30995622 0.80 RXRA (0.35) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL27353047 0.80 RXRA (0.35) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL26660220 0.77 NR3C1 (0.33) SCN9ANR3C1PGRNR3C2MTNR1A
SCHEMBL26660215 0.77 NR3C1 (0.33) SCN9ANR3C1PGRNR3C2MTNR1A

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-2024126650-A1 NOVEL BICYCLIC-CARBOXAMIDE COMPOUNDS USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 WO disclosed