SCHEMBL8416032

SCHEMBL8416032

CC(C)(COC(=O)CC(C(=O)OCC(C)(C)Cc1ccccc1)S(=O)(=O)[O-])Cc1ccccc1.[Na+]

nearest known ligand 0.37

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
PPARG known ✓ P37231 1/20 0.32
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRA P18433 1/20 0.33
PTPRB P23467 1/20 0.33

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
SCHEMBL7643169 0.89 CTSL (0.39) CTSLCTSSCTSKMMP1MMP13
SCHEMBL8416029 0.88 CTSL (0.39) CTSLCTSSCTSKMMP1MMP13
SCHEMBL7541071 0.78 ALDH1A1 (0.50) MMP9ALDH1A1MAPTLMNAKMT2A
SCHEMBL28838240 0.74 CTSL (0.47) CTSLCTSSCTSKMMP8ALDH1A1
SCHEMBL8956070 0.72 LMNA (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL17599139 0.71 ALDH1A1 (0.56) CTSLCTSSCTSKMMP8ALDH1A1
SCHEMBL7972965 0.68 ATM (0.39) ALDH1A1MAPTKMT2A
SCHEMBL16390785 0.68 CTSK (0.43) CTSLCTSSCTSKMMP1MMP13
SCHEMBL8674707 0.67
SCHEMBL4912321 0.66 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3KMT2A

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
US-5952521-A A DI-PHENYLALKYL SULPHOSUCCINATE DISPERSANT FOR IMPROVING PHOTOGRAPHIC PERFORMANCE WITH DISPERSIONS OF A PHOTOGRAPHIC COUPLER IN A HYDROPHILIC COLLOID EASTMAN KODAK COMPANY (US) 1999-09-14 US disclosed