Bicarbonate

Bicarbonate

SCHEMBL8555003

Cc1cc(Cl)ccc1CC(=O)NC1CCC(C(C)C)CC1.O=C(O)O

nearest known ligand 0.52

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 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
P2RX7 Q99572 4/20 0.44
MCHR1 Q99705 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
RAB9A P51151 1/20 0.41
ANO1 Q5XXA6 3/20 0.41
ATF4 P18848 1/20 0.40

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 SCHEMBL7615137 0.89 SIGMAR1 (0.58) LMNAHPGDSIGMAR1P2RX7NPC1
Bicarbonate SCHEMBL7614529 0.88 LMNA (0.45) LMNAHPGDP2RX7NPC1RAB9A
Bicarbonate SCHEMBL8558897 0.86 LMNA (0.50) LMNAHPGDSMN1; SMN2SIGMAR1P2RX7
Bicarbonate SCHEMBL8557459 0.86 HPGD (0.62) LMNAHPGDSMN1; SMN2SIGMAR1P2RX7
Bicarbonate SCHEMBL4421083 0.85 MEN1 (0.54) LMNAHPGDSMN1; SMN2SIGMAR1NPC1
Bicarbonate SCHEMBL8553268 0.85 LMNA (0.60) LMNAHPGDSMN1; SMN2SIGMAR1POLB
Bicarbonate SCHEMBL8557002 0.85 LMNA (0.60) LMNAHPGDSMN1; SMN2SIGMAR1POLB
Bicarbonate SCHEMBL8554252 0.84 ANO1 (0.52) LMNAHPGDSMN1; SMN2SIGMAR1P2RX7
Bicarbonate SCHEMBL8554916 0.84 LMNA (0.48) LMNAHPGDSMN1; SMN2SIGMAR1P2RX7
Bicarbonate SCHEMBL8796331 0.84 MEN1 (0.55) HPGDSIGMAR1GAAEPHX2

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