Bromoacetic Acid

Bromoacetic Acid

SCHEMBL9701974

O=C(O)CBr.O=C(O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.86
PTGS2 P35354 7/20 0.86
MGLL Q99685 6/20 0.59
FAAH O00519 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
HSP90AA1 P07900 1/20 0.59
TLR9 Q9NR96 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
XBP1 P17861 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
RECQL P46063 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GPR35 Q9HC97 1/20 0.59

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
SCHEMBL1574552 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL43882 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL8779419 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL43969 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL8779453 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL24939859 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL6934781 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL3291535 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL7785894 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL6940132 0.93 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2

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-0199480-B1 HEPATITIS A VIRUS VACCINES CHIRON CORPORATION (US) 1992-07-01 EP disclosed
EP-0199480-A2 Hepatitis A virus vaccines CHIRON CORPORATION (US) 1986-10-29 EP disclosed