Bicarbonate

Bicarbonate

SCHEMBL6990352

COc1ccc(CC(=O)NC2CCC(C)C(C)C2)c(C)c1.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 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
SIGMAR1 Q99720 3/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.43
KDM2B Q8NHM5 1/20 0.41
SMYD3 Q9H7B4 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 SCHEMBL4435168 0.88 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDAPOBEC3A
Bicarbonate SCHEMBL6996704 0.87 MEN1 (0.58) MEN1KMT2AALDH1A1HPGDAPOBEC3A
Bicarbonate SCHEMBL7615547 0.86 LMNA (0.43) MEN1KMT2AHPGDGAA
Bicarbonate SCHEMBL6998215 0.85 MEN1 (0.57) MEN1KMT2AALDH1A1HPGDAPOBEC3A
Bicarbonate SCHEMBL9119872 0.85 HPGD (0.56) MEN1KMT2AALDH1A1HPGDAPOBEC3A
Bicarbonate SCHEMBL6996297 0.85 SIGMAR1 (0.40) MEN1KMT2AALDH1A1HPGDAPOBEC3A
Bicarbonate SCHEMBL6990357 0.84 MEN1 (0.71) MEN1KMT2AALDH1A1HPGDAPOBEC3A
Bicarbonate SCHEMBL6990325 0.84 MEN1 (0.57) MEN1KMT2AALDH1A1HPGDAPOBEC3A
Bicarbonate SCHEMBL8554265 0.84 LMNA (0.45) HPGDSIGMAR1GAAEPHX2
Bicarbonate SCHEMBL6996071 0.83 MEN1 (0.73) MEN1KMT2AALDH1A1HPGDAPOBEC3A

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-0754175-B1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed