SCHEMBL31166022

SCHEMBL31166022

CC(C)(C)c1ccc(OOP(=O)([O-])[O-])c(C(C)(C)C)c1.[Na+].[Na+]

nearest known ligand 0.38

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
▸ CA1 known ✓ P00915 1/20 0.38
▸ CA2 known ✓ P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ APEX1 P27695 1/20 0.36
▸ NR1I2 O75469 2/20 0.36
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL31376913 0.98 CA1 (0.37) CA1CA2CA9APEX1NR1I2
SCHEMBL31185996 0.92 CA1 (0.37) CA1CA2CA9APEX1NR1I2
SCHEMBL28347864 0.84 APEX1 (0.39) CA1CA2CA9APEX1NR1I2
SCHEMBL4650194 0.84 APEX1 (0.39) CA1CA2CA9APEX1CYP2C19
SCHEMBL6739022 0.83 CA1 (0.40) CA1CA2CA9APEX1NR1I2
SCHEMBL227991 0.82 CA1 (0.39) CA1CA2CA9APEX1NR1I2
Lithium Ion SCHEMBL21541943 0.82 CA1 (0.39) CA1CA2CA9APEX1NR1I2
SCHEMBL28468987 0.82 CA1 (0.39) CA1CA2CA9APEX1NR1I2
SCHEMBL29773964 0.82 CA1 (0.39) CA1CA2CA9APEX1NR1I2
SCHEMBL28308871 0.82 CA1 (0.39) CA1CA2CA9APEX1NR1I2

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
CN-114507859-B Etching solution, preparation method thereof and metal film material treatment method 福建中安高新材料研究院有限公司 2024-10-11 — — CN disclosed
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