SCHEMBL29779889

SCHEMBL29779889

O=C(CCl)c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
ALOX15 P16050 1/20 0.59
PTPN1 P18031 1/20 0.58
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
CTNNB1 P35222 3/20 0.50
WNT3A P56704 3/20 0.50
TRPA1 O75762 1/20 0.50
MAPK1 P28482 1/20 0.50
GSK3B P49841 1/20 0.50
HIF1A Q16665 1/20 0.50
GAA P10253 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL1427156 1.00 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1ERCC5FEN1
SCHEMBL8585697 0.91 ALDH1A1 (0.50) ALDH1A1ALOX15PTPN1ERCC5FEN1
SCHEMBL11737575 0.84 ALDH1A1 (0.61) ALDH1A1ALOX15ERCC5FEN1CES2
SCHEMBL8585700 0.83 PTPN1 (0.44) ALDH1A1ALOX15PTPN1ERCC5FEN1
SCHEMBL30956722 0.83 CES2 (0.61) ALDH1A1ALOX15PTPN1ERCC5FEN1
SCHEMBL8972179 0.83 CTNNB1 (0.56) ALDH1A1ALOX15PTPN1ERCC5FEN1
SCHEMBL3058748 0.83 CES2 (0.61) ALDH1A1ALOX15PTPN1ERCC5FEN1
SCHEMBL20508992 0.82 PTPN1 (0.74) ALDH1A1ALOX15PTPN1ERCC5FEN1
SCHEMBL30089515 0.82 CTNNB1 (0.68) ALDH1A1ALOX15PTPN1ERCC5FEN1
SCHEMBL1050668 0.80 CTNNB1 (0.57) ALDH1A1ALOX15PTPN1ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121159377-A Vonoprazan fumarate intermediate and preparation method and application thereof through photocatalytic propanal alpha-alkylation reaction 安徽师范大学 2025-12-19 CN disclosed
CN-120058445-A Method for generating aryl phenol compound by hydroxylation of uranium photocatalytic aryl fluorine compound and application of method 华东师范大学 2025-05-30 CN disclosed
CN-119330949-A Polycyclic compound and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-01-21 CN disclosed
CN-118344349-A 4-Alkoxybenzimidazole-6-carboxylic acid derivatives as GLP-1 receptor agonists 中国科学院上海药物研究所 2024-07-16 CN disclosed
CN-115521297-A 5,6-dihydro-1,2,4-triazines and their pharmaceutical use as GLP-1 receptor agonists 中国科学院上海药物研究所 2022-12-27 CN disclosed
CN-114716423-A 5, 6-dihydro-1, 2, 4-triazines and their pharmaceutical use as GLP-1 receptor agonists 中国科学院上海药物研究所 2022-07-08 CN disclosed