Chloroacetic Acid

Chloroacetic Acid

SCHEMBL5874302

Cc1ccccc1C(C)(C)N.O=C(O)CCl

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3B P49841 3/20 0.37
TRPA1 O75762 1/20 0.37
MAPK1 P28482 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
Malonic Acid SCHEMBL5874902 0.88 GAA (0.41) HIF1ACYP2C19NPSR1ALDH1A1GAA
Propionic Acid SCHEMBL5874238 0.88 HIF1A (0.39) HIF1ACYP2C19NPSR1ALDH1A1GAA
Glycolic Acid SCHEMBL5179943 0.88 CYP2C19 (0.39) HIF1ACYP2C19NPSR1ALDH1A1GAA
Succinic Acid SCHEMBL5874073 0.88 NR4A2 (0.41) HIF1ACYP2C19NPSR1ALDH1A1GAA
Bicarbonate SCHEMBL5874331 0.87 KMT2A (0.41) CYP2C19NPSR1ALDH1A1GAAKDM4E
Oxalic Acid SCHEMBL5179301 0.85 ALDH1A1 (0.44) CYP2C19NPSR1ALDH1A1GAAKDM4E
Oxalic Acid SCHEMBL153610 0.85 ALDH1A1 (0.44) CYP2C19NPSR1ALDH1A1GAAKDM4E
Acetic Acid SCHEMBL1047016 0.85 HPGD (0.40) CYP2C19NPSR1ALDH1A1GAAKDM4E
Adipic Acid SCHEMBL5874263 0.85 HPGD (0.45) NPSR1ALDH1A1KDM4EATMTDP1
Glutarate SCHEMBL5875052 0.85 LTA4H (0.44) HIF1ACYP2C19ALDH1A1KDM4EATM

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
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed