Bicarbonate

Bicarbonate

SCHEMBL27570622

CC(C)CCCCCc1ccccc1CCCCCC(C)C.O=C(O)O

nearest known ligand 0.47

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 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.47
CYSLTR1 Q9Y271 5/20 0.47
LTB4R Q15722 3/20 0.45
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
BID P55957 4/20 0.41
MCL1 Q07820 4/20 0.41
BCL2L1 Q07817 3/20 0.41
BAK1 Q16611 3/20 0.41
KAT8 Q9H7Z6 2/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41

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
SCHEMBL7632660 0.90 HIF1A (0.43) CYSLTR2CYSLTR1LTB4RLMNAHIF1A
SCHEMBL30899680 0.90 HIF1A (0.43) CYSLTR2CYSLTR1LTB4RLMNAHIF1A
Bicarbonate SCHEMBL27580598 0.90 MGLL (0.50) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL7637528 0.88 HIF1A (0.41) CYSLTR2CYSLTR1LMNAHIF1AEPAS1
Phosphoric Acid SCHEMBL28716195 0.87 ALDH1A1 (0.46) CYSLTR2CYSLTR1LTB4RHIF1AEPAS1
Bicarbonate SCHEMBL27989644 0.87 KMT2A (0.49) CYSLTR2CYSLTR1LTB4RBIDMCL1
SCHEMBL11803993 0.87 LIPG (0.42) CYSLTR2CYSLTR1LTB4RHIF1AEPAS1
SCHEMBL28356255 0.87 LIPG (0.42) CYSLTR2CYSLTR1LTB4RHIF1AEPAS1
SCHEMBL28352315 0.87 LIPG (0.42) CYSLTR2CYSLTR1LTB4RHIF1AEPAS1
SCHEMBL480252 0.86 SLC16A3 (0.53) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104540890-A Products with improved non-flammability BAYER MATERIALSCIENCE AG 2015-04-22 CN disclosed
CN-102093685-A Polycarbonate compositions with improved surface hardness BAYER MATERIALSCIENCE AG 2011-06-15 CN disclosed
CN-102002224-A Products with improved flame retardancy BAYER MATERIALSCIENCE AG 2011-04-06 CN disclosed
CN-100448912-C Method for producing polyester carbonic ester BAYER AG (DE) 2009-01-07 CN disclosed
CN-100434453-C Polycarbonates, polyester carbonates and polyesters containing pendant cycloalkyl-substituted phenols BAYER MATERIALSCIENCE AG (DE) 2008-11-19 CN disclosed
CN-1729227-A Polycarbonates, polyester carbonates and polyesters containing pendant cycloalkyl-substituted phenols BAYER MATERIALSCIENCE AG (DE) 2006-02-01 CN disclosed
CN-1412219-A Method for producing polyester carbonic ester BAYER AG (DE) 2003-04-23 CN disclosed