SCHEMBL135873

SCHEMBL135873

CCCCCCCC(CO)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.47

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
CA2 known ✓ P00918 1/20 0.44
CA1 known ✓ P00915 2/20 0.41
FDPS known ✓ P14324 3/20 0.38
LMNA P02545 2/20 0.47
NR1I2 O75469 1/20 0.41
RECQL P46063 2/20 0.41
TP53 P04637 2/20 0.41
BLM P54132 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
GPR84 Q9NQS5 4/20 0.41
CYP2D6 P10635 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
GMNN O75496 1/20 0.40
POLB P06746 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 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
SCHEMBL7469371 1.00 LMNA (0.47) LMNACA2NR1I2RECQLTP53
SCHEMBL185844 1.00 LMNA (0.47) LMNACA2NR1I2RECQLTP53
SCHEMBL18986934 1.00 LMNA (0.47) LMNACA2NR1I2RECQLTP53
SCHEMBL8824223 1.00 LMNA (0.47) LMNACA2NR1I2RECQLTP53
SCHEMBL3259690 0.98 LMNA (0.43) LMNACA2NR1I2RECQLTP53
Potassium Ion SCHEMBL8824224 0.96 LMNA (0.47) LMNACA2NR1I2RECQLTP53
Potassium Ion SCHEMBL18077253 0.94 LMNA (0.43) LMNACA2NR1I2TP53BLM
SCHEMBL1413951 0.94 LMNA (0.43) LMNACA2NR1I2TP53BLM
SCHEMBL1414118 0.94 LMNA (0.43) LMNACA2NR1I2TP53BLM
Potassium Ion SCHEMBL18062300 0.92 LMNA (0.42) LMNACA2NR1I2TP53BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058511-A1 MUTANT MICROORGANISM AND METHOD FOR PRODUCING PEPTIDE USING THE SAME AJINOMOTO CO., INC., (JP) 2012-03-08 US disclosed
US-20050176150-A1 Mutant microorganism and method for producing peptide using the same AJINOMOTO CO., INC. (JP) 2005-08-11 US disclosed
EP-1561810-A2 Mutant microorganism and method for producing peptide using the same Ajinomoto Co., Inc. (JP) 2005-08-10 EP disclosed