SCHEMBL28338237

SCHEMBL28338237

O=C(O)CCC(CC(=O)O)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP known ✓ O00591 2/20 0.35
GABRD known ✓ O14764 2/20 0.35
GABRA1 known ✓ P14867 2/20 0.35
GABRB1 known ✓ P18505 2/20 0.35
GABRG2 known ✓ P18507 2/20 0.35
GABRB3 known ✓ P28472 2/20 0.35
GABRA5 known ✓ P31644 2/20 0.35
GABRA3 known ✓ P34903 2/20 0.35
GABRA2 known ✓ P47869 2/20 0.35
GABRB2 known ✓ P47870 2/20 0.35
GABRA4 known ✓ P48169 2/20 0.35
GABRE known ✓ P78334 2/20 0.35
GABRA6 known ✓ Q16445 2/20 0.35
GABRG1 known ✓ Q8N1C3 2/20 0.35
GABRG3 known ✓ Q99928 2/20 0.35
GABRQ known ✓ Q9UN88 2/20 0.35
FOLH1 Q04609 5/20 0.43
CYP1A2 P05177 2/20 0.40
GRM8 O00222 1/20 0.40
GRM6 O15303 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
SCHEMBL26983125 0.84 TDP1 (0.43) FOLH1LMNAMAPTTDP1APEX1
SCHEMBL10932851 0.78 FOLH1 (0.46) FOLH1CYP1A2GRM8GRM6GRIN2D
SCHEMBL326407 0.77 FOLH1 (0.45) FOLH1CYP1A2GRM8GRM6GRIN2D
SCHEMBL28220537 0.77 FOLH1 (0.45) FOLH1CYP1A2GRM8GRM6GRIN2D
SCHEMBL9402802 0.77 FOLH1 (0.45) FOLH1CYP1A2GRM8GRM6GRIN2D
SCHEMBL28221122 0.77 FOLH1 (0.45) FOLH1CYP1A2GRM8GRM6GRIN2D
D-Glutamate SCHEMBL28070259 0.71 GRM8 (0.75) FOLH1CYP1A2GRM8GRM6GRIN2D
SCHEMBL12226844 0.70 TET2 (0.44) FOLH1CYP1A2GRM8GRM6GRIN2D
Succinic Acid SCHEMBL28325526 0.69 LMNA (0.60) FOLH1KDM2ANFKB1LMNAAPEX1
Glutamic Acid SCHEMBL8843019 0.68 GRM8 (0.69) FOLH1CYP1A2GRM8GRM6GRIN2D

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
CN-110511375-A A kind of static resistant polyamide composite material and preparation method SHANGHAI GENIUS NEW MAT GROUP CO LTD 2019-11-29 CN disclosed