Chloroacetic Acid

Chloroacetic Acid

SCHEMBL27424329

CCOC(=O)C1CNCCN1.O=C(O)CCl

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32

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
SCHEMBL1417951 0.90 MAPT (0.42) MAPTPKMPPM1BPTPN1PPP1CC
SCHEMBL7189528 0.90 MAPT (0.42) MAPTPKMPPM1BPTPN1PPP1CC
SCHEMBL27550910 0.90 MAPT (0.42) MAPTPKMPPM1BPTPN1PPP1CC
Acetic Acid SCHEMBL6729875 0.89 MAPT (0.43) MAPTPKMPPM1BPTPN1PPP1CC
Hydrochloric Acid SCHEMBL4283062 0.89 MAPT (0.44) MAPTPKMPPM1BPTPN1PPP1CC
Hydrochloric Acid SCHEMBL2920606 0.89 MAPT (0.44) MAPTPKMPPM1BPTPN1PPP1CC
Trifluoroacetic Acid SCHEMBL8561671 0.83 MAPT (0.39) MAPTPKMPPM1BPTPN1PPP1CC
SCHEMBL27619781 0.80 MAPT (0.40) MAPTPKMPPM1BPTPN1KDM4E
SCHEMBL1951212 0.79 PPM1B (0.37) MAPTPKMPPM1BPTPN1PPP1CC
SCHEMBL27638771 0.78 MAPT (0.35) MAPTPKMCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1109057-A Imidazopyridazine MERCK PATENT GMBH (DE) 1995-09-27 CN disclosed