Chloroacetic Acid

Chloroacetic Acid

SCHEMBL23933671

O=C(O)CCl.O=C1CC(O)C(=O)N1

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ITGB1 P05556 2/20 0.38
ITGA5 P08648 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGB2 P05107 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB5 P18084 1/20 0.38
ITGAL P20701 1/20 0.38
MAP3K14 Q99558 1/20 0.38
MEN1 O00255 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
CRBN Q96SW2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
Succinic Acid SCHEMBL28474102 0.86 ITGB1 (0.39) TSHRITGB1ITGA5ITGB3ITGB2
SCHEMBL7530545 0.86 MAP3K14 (0.41) ITGB1ITGA5ITGB3ITGB2ITGAV
Bicarbonate SCHEMBL14918 0.86 MAP3K14 (0.44) ITGB1ITGA5ITGB3ITGB2ITGAV
Propionic Acid SCHEMBL27332593 0.85 FFAR3 (0.39) TSHRITGB1ITGA5ITGB3ITGB2
Glycine SCHEMBL28308251 0.85 GLRA1 (0.39) TSHRITGB1ITGA5ITGB3ITGB2
Iodoacetic Acid SCHEMBL27900433 0.85 ITGB1 (0.38) TSHRITGB1ITGA5ITGB3ITGB2
Oxalic Acid SCHEMBL9728854 0.84 MAP3K14 (0.43) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL15494454 0.83
SCHEMBL11288 0.83
Glutarate SCHEMBL28187765 0.83 SLC22A6 (0.41) TSHRITGB1ITGA5ITGB3ITGB2

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
EP-4138875-A1 RAS INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2023-03-01 EP disclosed
WO-2021217019-A1 RAS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-28 WO disclosed