Bicarbonate

Bicarbonate

SCHEMBL7323197

O=C(NC1CCCCC1)C1(CS)CCc2ccccc2C1.O=C(O)O

nearest known ligand 0.77

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 10)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.48
EPHX1 P07099 1/20 0.43
HPGD P15428 1/20 0.43
EPHX2 P34913 1/20 0.43
MMP1 P03956 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7293481 0.87 MME (0.47) MME
SCHEMBL7293478 0.87 MME (0.47) MME
SCHEMBL7294105 0.76 MME (0.82) MME
SCHEMBL7294452 0.74 MME (0.61) MME
SCHEMBL7294567 0.73 MME (0.57) MMEMMP1
SCHEMBL7294573 0.73 MME (0.57) MMEMMP1
SCHEMBL7292661 0.72 MME (0.55) MMEMMP1
SCHEMBL7293268 0.71 MME (0.48) MMEMMP1TSHRPOLB
SCHEMBL7293970 0.71 MME (0.56) MME
SCHEMBL7320924 0.71 MME (0.56) MME

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516980-B1 Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL PHARMA INC (US) 1996-04-17 EP claimed