SCHEMBL24459474

SCHEMBL24459474

COC(=O)Nc1cc(C)c(C(=O)Cc2cccc(C(=O)O)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 14/20 0.44
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL24459213 0.82 MAPT (0.46) TP53SMN1; SMN2RXFP1MAPT
SCHEMBL29645244 0.80 HPGD (0.49) TP53RAB9ASMN1; SMN2MAPT
SCHEMBL29036654 0.77 MRGPRX4 (0.43) MRGPRX4RAB9ASMN1; SMN2
SCHEMBL24459450 0.77 SHBG (0.48) RAB9ASMN1; SMN2MAPT
SCHEMBL17009627 0.76 NPSR1 (0.53) TP53PKMSMN1; SMN2MAPT
SCHEMBL26975760 0.76 MRGPRX4 (0.56) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL38657343 0.75 HPGD (0.49) PKMRAB9ASMN1; SMN2MAPTNR1H4
SCHEMBL22887515 0.74 MRGPRX4 (0.50) MRGPRX4RAB9A
SCHEMBL24459684 0.72 LOXL2 (0.55) MRGPRX4RAB9ASMN1; SMN2MAPT
SCHEMBL13381194 0.72 SRD5A2 (0.62) MAPT

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-2022109361-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed