Chloroacetic Acid

Chloroacetic Acid

SCHEMBL19183448

CCCOC(=O)CCC(=O)CN.O=C(O)CCl

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.61
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GABRR1 P24046 1/20 0.44
DGKA P23743 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
TOP2A P11388 2/20 0.36
MAPT P10636 2/20 0.35
BLM P54132 1/20 0.35
PAM P19021 2/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.34
CNR1 P21554 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
DNM1 Q05193 1/20 0.33
EPHX2 P34913 1/20 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
Chloroacetic Acid SCHEMBL19183450 0.90 HTR2C (0.71) HTR2CKDM4ELMNAGABRR1DGKA
SCHEMBL987127 0.89 HTR2C (0.73) HTR2CKDM4ELMNAGABRR1DGKA
Chloroacetic Acid SCHEMBL19182721 0.89 HTR2C (0.79) HTR2CKDM4ELMNAGABRR1DGKA
Hexaminolevulinate SCHEMBL19183350 0.88 HTR2C (0.82) HTR2CKDM4ELMNADGKAMAPT
Hydrochloric Acid SCHEMBL1612222 0.88 HTR2C (0.71) HTR2CKDM4ELMNAGABRR1DGKA
Chloroacetic Acid SCHEMBL19183011 0.86 HTR2C (0.51) HTR2CKDM4ELMNAGABRR1TOP2A
Trichloroacetic Acid SCHEMBL19182722 0.85 HTR2C (0.59) HTR2CKDM4ELMNAGABRR1DGKA
Dichloroacetic Acid SCHEMBL19182715 0.85 HTR2C (0.59) HTR2CKDM4ELMNAGABRR1DGKA
SCHEMBL4806885 0.82 HTR2C (0.49) HTR2CLMNADGKAADRA2AADRA1A
SCHEMBL12611805 0.80 HTR2C (0.71) HTR2CKDM4ELMNAGABRR1DGKA

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-112010772-A Salt compound of 5-aminolevulinic acid and derivative thereof and application 赵鸣 2020-12-01 CN disclosed
EP-3408254-B1 SALTS OF 5-AMINOLEVULINIC ACID AND DERIVATIVES ZHAO MING (US) 2020-11-04 EP disclosed
US-10653653-B2 Salts of 5-aminolevulinic acid and derivatives ZHAO MING (US) 2020-05-19 US disclosed
US-20190022044-A1 SALTS OF 5-AMINOLEVULINIC ACID AND DERIVATIVES ZHAO MING (US) 2019-01-24 US disclosed
EP-3408254-A2 SALTS OF 5-AMINOLEVULINIC ACID AND DERIVATIVES Zhao, Ming (US) 2018-12-05 EP disclosed
WO-2017132178-A2 SALTS OF 5-AMINOLEVULINIC ACID AND DERIVATIVES ZHAO MING (US) 2017-08-03 WO disclosed