SCHEMBL28401652

SCHEMBL28401652

CCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O.[CaH2]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.69
ACE P12821 4/20 0.67
POLB P06746 3/20 0.65
P2RY14 Q15391 1/20 0.65
TP53 P04637 1/20 0.65
ITGB2 P05107 2/20 0.65
ICAM1 P05362 2/20 0.65
ITGAL P20701 2/20 0.65
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 1/20 0.62
HTT P42858 1/20 0.62
ECE1 P42892 3/20 0.62
HCRTR1 O43613 1/20 0.62
ERAP2 Q6P179 1/20 0.62

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
SCHEMBL28401650 1.00 ALOX15 (0.69) ALOX15ACEPOLBP2RY14TP53
SCHEMBL11382213 0.99 ALOX15 (0.70) ALOX15ACEPOLBP2RY14TP53
SCHEMBL11382215 0.99 ALOX15 (0.70) ALOX15ACEPOLBP2RY14TP53
SCHEMBL15692400 0.94 ACE (0.70) ALOX15ACEKDM4EECE1
SCHEMBL28396919 0.93 MEN1 (0.64) ALOX15ACEPOLBP2RY14TP53
SCHEMBL28396920 0.93 MEN1 (0.64) ALOX15ACEPOLBP2RY14TP53
SCHEMBL31036188 0.93 MEN1 (0.66) ALOX15ACEPOLBP2RY14TP53
SCHEMBL21001415 0.93 MEN1 (0.66) ALOX15ACEPOLBP2RY14TP53
SCHEMBL21001416 0.93 MEN1 (0.66) ALOX15ACEPOLBP2RY14TP53
SCHEMBL31036095 0.93 MEN1 (0.66) ALOX15ACEPOLBP2RY14TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111132962-B Tryptophan derivative and application thereof 彭险峰 2023-09-08 CN claimed
CN-111132962-A Tryptophan derivative and application thereof 黄华成 2020-05-08 CN claimed
CN-111132962-B Tryptophan derivative and application thereof 彭险峰 2023-09-08 CN disclosed
CN-111132962-A Tryptophan derivative and application thereof 黄华成 2020-05-08 CN disclosed