SCHEMBL30444159

SCHEMBL30444159

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

nearest known ligand 0.36

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 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.35
CA12 known ✓ O43570 1/20 0.35
CA1 known ✓ P00915 1/20 0.35
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NR1I2 O75469 1/20 0.33
MMP1 P03956 2/20 0.33
MMP13 P45452 2/20 0.33
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL11698591 0.95 CA12 (0.35) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL30444895 0.86 CA2 (0.42) TSHRCYP3A4CA2CA1NR1I2
SCHEMBL28880647 0.84 NR1I2 (0.45) TSHRNFKB1CA2CA1NR1I2
SCHEMBL128774 0.84 TSHR (0.32) TSHRRECQLGLAHPGDMAPK1
SCHEMBL9661269 0.82 NR1I2 (0.47) TSHRCA2CA12CA1CA7
SCHEMBL28776357 0.82 NR1I2 (0.47) TSHRCA2CA12CA1CA7
SCHEMBL28610864 0.82 NR1I2 (0.47) TSHRCA2CA12CA1CA7
SCHEMBL29492049 0.82 NR1I2 (0.47) TSHRCA2CA12CA1CA7
SCHEMBL28520909 0.81 MMP1 (0.46) MMP1MMP13
SCHEMBL9556820 0.81 CA2 (0.38) TSHRCYP3A4NFKB1NPSR1CA2

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-116457911-A Low inductance electrolytic capacitor 京瓷AVX元器件公司 2023-07-18 CN disclosed