Bicarbonate

Bicarbonate

SCHEMBL8553268

Cc1cc(Cl)ccc1CC(=O)NC1CCCCCC1.O=C(O)O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.58
EPHX2 P34913 2/20 0.56
GAA P10253 2/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.51
ANO1 Q5XXA6 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
Bicarbonate SCHEMBL8557002 1.00 LMNA (0.60) LMNAHPGDSMN1; SMN2POLBEPHX2
Bicarbonate SCHEMBL8557459 0.99 HPGD (0.62) LMNAHPGDSMN1; SMN2POLBEPHX2
Bicarbonate SCHEMBL8558897 0.88 LMNA (0.50) LMNAHPGDSMN1; SMN2POLBEPHX2
Bicarbonate SCHEMBL8553237 0.87 LMNA (0.49) LMNAHPGDSMN1; SMN2POLBEPHX2
Bicarbonate SCHEMBL8554252 0.86 ANO1 (0.52) LMNAHPGDSMN1; SMN2POLBEPHX2
Bicarbonate SCHEMBL8554916 0.86 LMNA (0.48) LMNAHPGDSMN1; SMN2POLBEPHX2
Bicarbonate SCHEMBL8558449 0.85 LMNA (0.50) LMNAHPGDSMN1; SMN2POLBEPHX2
Bicarbonate SCHEMBL8555003 0.85 LMNA (0.47) LMNAHPGDSMN1; SMN2POLBEPHX2
Bicarbonate SCHEMBL4423971 0.84 KMT2A (0.72) LMNAHPGDSMN1; SMN2POLBEPHX2
Bicarbonate SCHEMBL4421862 0.84 KMT2A (0.72) LMNAHPGDSMN1; SMN2POLBEPHX2

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-0668267-B1 Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1998-04-08 EP disclosed
EP-0668267-A1 Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1995-08-23 EP disclosed