Bicarbonate

Bicarbonate

SCHEMBL9044829

Cc1ccc(CC(=O)NC2CCCCS2)c(C)c1.O=C(O)O

nearest known ligand 0.43

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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 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ P2RX7 Q99572 3/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CCR2 P41597 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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 SCHEMBL9046804 0.80 TAS1R3 (0.38) LMNAHPGDP2RX7POLBGAA
Bicarbonate SCHEMBL7624086 0.78 HPGD (0.56) LMNAHPGDCCR2HTTPOLB
Bicarbonate SCHEMBL7620865 0.74 GAA (0.52) LMNAHPGDP2RX7NPC1RAB9A
Bicarbonate SCHEMBL7615143 0.73 LMNA (0.47) LMNAHPGDP2RX7NPC1RAB9A
Bicarbonate SCHEMBL7621065 0.72 ALPL (0.47) LMNAHPGDP2RX7NPC1RAB9A
Bicarbonate SCHEMBL7620489 0.72 LMNA (0.46) LMNAHPGDP2RX7NPC1RAB9A
Bicarbonate SCHEMBL7615547 0.72 LMNA (0.43) LMNAHPGDP2RX7NPC1RAB9A
Bicarbonate SCHEMBL7614529 0.72 LMNA (0.45) LMNAHPGDP2RX7NPC1RAB9A
Bicarbonate SCHEMBL9043289 0.71 KMT2A (0.57) P2RX7RAB9AHTTPOLBGAA
Bicarbonate SCHEMBL7615733 0.71 LMNA (0.44) LMNAHPGDNPC1RAB9APSMB8

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-0706527-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-04-17 — — EP disclosed
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