SCHEMBL10448366

SCHEMBL10448366

CC(=O)Oc1cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c1OC(C)=O.[Na+].[Na+]

nearest known ligand 0.51

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
TUBB4A known ✓ P04350 1/20 0.33
TUBB known ✓ P07437 1/20 0.33
TUBA3C known ✓ P0DPH7 1/20 0.33
TUBA1B known ✓ P68363 1/20 0.33
TUBA4A known ✓ P68366 1/20 0.33
TUBB4B known ✓ P68371 1/20 0.33
TUBB3 known ✓ Q13509 1/20 0.33
TUBB2A known ✓ Q13885 1/20 0.33
TUBB8 known ✓ Q3ZCM7 1/20 0.33
TUBA3E known ✓ Q6PEY2 1/20 0.33
TUBA1A known ✓ Q71U36 1/20 0.33
TUBA1C known ✓ Q9BQE3 1/20 0.33
TUBB6 known ✓ Q9BUF5 1/20 0.33
TUBB2B known ✓ Q9BVA1 1/20 0.33
TUBB1 known ✓ Q9H4B7 1/20 0.33
DUSP5 Q16690 3/20 0.51
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 4/20 0.38
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL14535575 0.78 KMT2A (0.40) KMT2AMAPTPOLBKDM4EAPEX1
SCHEMBL10448372 0.76 CA12 (0.48) DUSP5KMT2AMAPTPOLBKDM4E
SCHEMBL10448371 0.74 DUSP5 (0.42) DUSP5KMT2AKDM4ERECQLHTT
SCHEMBL10448375 0.74 DUSP5 (0.42) DUSP5KMT2AKDM4ERECQLHTT
SCHEMBL10590243 0.74 LMNA (0.55) DUSP5KMT2AMAPTPOLBKDM4E
SCHEMBL1964224 0.71 DUSP5 (0.50) DUSP5KMT2AMAPTPOLBKDM4E
SCHEMBL218311 0.70 PTGS2 (0.49) KMT2AMAPTPOLBKDM4EAPEX1
SCHEMBL30659810 0.70 PTGS2 (0.49) KMT2AMAPTPOLBKDM4EAPEX1
SCHEMBL11333846 0.70 CA12 (0.46) KMT2AMAPTPOLBKDM4EAPEX1
SCHEMBL3375499 0.70 DUSP5 (0.49) DUSP5KMT2AMAPTPOLBKDM4E

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-0350096-A2 Bleaching detergent compositions UNILEVER N.V. (NL) 1990-01-10 EP disclosed