SCHEMBL9450649

SCHEMBL9450649

Cc1ccc(C(=O)OS(=O)(=O)[O-])c(C)c1C(=O)O.[Na+]

nearest known ligand 0.35

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 10)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.35
▸ PLA2G2A P14555 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL743209 0.84 METAP2 (0.34) METAP2PLA2G2ATDP1L3MBTL1KDM4E
Sulfuric Acid SCHEMBL4611664 0.82 METAP2 (0.39) METAP2TDP1L3MBTL1LMNAKDM4E
Sulfuric Acid SCHEMBL4611666 0.81 METAP2 (0.38) METAP2TDP1L3MBTL1LMNAKDM4E
SCHEMBL28067904 0.77 CA12 (0.42) TDP1L3MBTL1LMNAKDM4EGAA
SCHEMBL1039798 0.76 FFAR4 (0.30) FFAR4
SCHEMBL27169657 0.76 ALDH1A1 (0.35) TDP1L3MBTL1KDM4EPOLB
SCHEMBL743208 0.74 ALDH1A1 (0.30) LMNAFFAR4
SCHEMBL195882 0.74 CYP1A2 (0.44) TDP1L3MBTL1LMNAKDM4ETSHR
Sulfuric Acid SCHEMBL4611662 0.74 HAAO (0.38) METAP2TDP1L3MBTL1KDM4ETSHR
SCHEMBL2689910 0.73 GRM6 (0.40) TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547106-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS. PROCTER & GAMBLE (US) 1993-06-23 — — EP disclosed
WO-1992004433-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-03-19 — — WO disclosed
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