SCHEMBL4371010

SCHEMBL4371010

CCCCCCCCCCCCc1ccccc1.O=C([O-])CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.46

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
THRA known ✓ P10827 1/20 0.41
THRB known ✓ P10828 1/20 0.41
CA2 known ✓ P00918 1/20 0.40
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GPR84 Q9NQS5 2/20 0.43
S1PR2 O95136 2/20 0.43
S1PR1 P21453 2/20 0.43
FUT7 Q11130 1/20 0.42
KCNH2 Q12809 1/20 0.42
S1PR3 Q99500 1/20 0.41

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
SCHEMBL4371015 0.90 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17179880 0.81 HDAC1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7546077 0.81 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Stearic Acid SCHEMBL9117839 0.80 HDAC1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
Sulfuric Acid SCHEMBL1350859 0.79 MEN1 (0.54) S1PR2S1PR1FUT7KCNH2S1PR3
Sulfuric Acid SCHEMBL15752866 0.79 KCNH2 (0.57) FUT7KCNH2MEN1KMT2ACA2
Sulfuric Acid SCHEMBL64908 0.79 KCNH2 (0.57) FUT7KCNH2MEN1KMT2ACA2
Bicarbonate SCHEMBL20791903 0.79 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
Sulfuric Acid SCHEMBL2347222 0.79 KCNH2 (0.57) FUT7KCNH2MEN1KMT2ACA2
Sulfuric Acid SCHEMBL17003825 0.79 KCNH2 (0.57) FUT7KCNH2MEN1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618920-B2 Thermal recording sheet and thermal recording sheet pack OJI PAPER CO., LTD. (JP) 2009-11-17 US disclosed
EP-1685972-B1 THERMAL RECORDING SHEET AND THERMAL RECORDING SHEET PACK OJI PAPER CO (JP) 2008-12-17 EP disclosed
US-20070203023-A1 Thermal Recording Sheet And Thermal Recording Sheet Pack OJI PAPER CO., LTD. (JP) 2007-08-30 US disclosed
EP-1685972-A1 THERMAL RECORDING SHEET AND THERMAL RECORDING SHEET PACK Oji Paper Co., Ltd. (JP) 2006-08-02 EP disclosed