SCHEMBL28625698

SCHEMBL28625698

CONC(=O)C(C)c1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.66
CXCR2 P25025 1/20 0.66
ALOX5 P09917 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
LMNA P02545 3/20 0.41
CHRM1 P11229 1/20 0.41
PDE4A P27815 1/20 0.41
MAPT P10636 3/20 0.41
ACHE P22303 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL28622615 0.84 CXCR1 (0.64) CXCR1CXCR2ALDH1A1
SCHEMBL6802546 0.83 CXCR1 (0.63) CXCR1CXCR2KMT2ALMNAGPR88
SCHEMBL11773513 0.80 CXCR1 (0.44) CXCR1CXCR2ALOX5TDP1KMT2A
SCHEMBL13952025 0.80 CXCR1 (1.00) CXCR1CXCR2ALOX5LMNACHRM1
SCHEMBL13712793 0.79 CHRM1 (0.62) CXCR1CXCR2ALOX5KMT2ALMNA
SCHEMBL12424105 0.79 HPGD (0.51) ALOX5TDP1KMT2AACHE
SCHEMBL30641550 0.77 HPGD (0.50) ALOX5TDP1KMT2AACHE
SCHEMBL14135290 0.76 MAPT (0.65) TDP1KMT2ALMNAMAPTHTT
SCHEMBL9692381 0.76 TDP1 (0.44) CXCR1CXCR2ALOX5TDP1KMT2A
SCHEMBL16750533 0.74 EPHX1 (0.60) ALOX5KMT2ALMNAACHESMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214134-B Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2022-08-30 CN disclosed
CN-113214134-A Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2021-08-06 CN disclosed