SCHEMBL31448014

SCHEMBL31448014

O=C(O)CNC(=O)c1ccccc1C(=O)NCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.62
KMT2A Q03164 1/20 0.55
APEX1 P27695 1/20 0.55
EGLN1 Q9GZT9 2/20 0.54
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
KDM4C Q9H3R0 1/20 0.51
ABAT P80404 1/20 0.50
RAB9A P51151 1/20 0.50
PTPRC P08575 2/20 0.49
CTSL P07711 1/20 0.49
PTPN13 Q12923 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
EGLN2 Q96KS0 1/20 0.49
FTO Q9C0B1 1/20 0.49

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
SCHEMBL30289977 0.94 KMT2A (0.65) KEAP1KMT2AAPEX1EGLN1KDM4E
SCHEMBL27450922 0.90 KEAP1 (0.66) KEAP1KMT2AEGLN1KDM4EMAPT
Salicyluric Acid SCHEMBL570541 0.88 HPGD (0.58) KEAP1KMT2AEGLN1KDM4EMAPT
Salicyluric Acid SCHEMBL29935452 0.88 HPGD (0.58) KEAP1KMT2AEGLN1KDM4EMAPT
SCHEMBL4687361 0.87 KEAP1 (0.51) KEAP1KMT2AEGLN1KDM4EMAPT
SCHEMBL196585 0.86 ALDH1A1 (0.55) KEAP1EGLN1KDM4EMAPTHIF1A
Iodohippurate SCHEMBL589803 0.86 KMT2A (0.58) KEAP1KMT2AAPEX1EGLN1KDM4E
SCHEMBL6427726 0.86 NLRP3 (0.58) KEAP1KMT2AKDM4ETSHRHTT
SCHEMBL1285567 0.86 HPGD (0.62) KEAP1KMT2AHTTRAB9AGAA
SCHEMBL2490818 0.86 RAB9A (0.63) KEAP1RAB9ATAAR1

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-120059357-A Polybutene composition and application thereof, polybutene pipe and preparation method thereof 日丰企业(佛山)有限公司 2025-05-30 CN disclosed
CN-119707898-A Parthenolide ketone derivative, pharmaceutical composition thereof, preparation method and application thereof 中国医学科学院药物研究所 2025-03-28 CN disclosed