SCHEMBL30688986

SCHEMBL30688986

CC(C)(C)c1ccc(OP(=O)([O-])[O-])cc1C(C)(C)C.[Na+].[Na+]

nearest known ligand 0.41

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 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 2/20 0.38
▸ CA1 known ✓ P00915 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ ESRRA P11474 1/20 0.34
▸ NR1H4 Q96RI1 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ INPPL1 O15357 1/20 0.32
▸ INPP5A Q14642 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL2802655 0.85 CYP3A4 (0.47) CA2ALDH1A1ESRRACA1NR1H4
SCHEMBL30662002 0.85 CYP3A4 (0.47) CA2ALDH1A1ESRRACA1NR1H4
SCHEMBL29138433 0.81 INPPL1 (0.52) CA2ALDH1A1ESRRACA1INPPL1
SCHEMBL5076709 0.75 CA1 (0.46) CA2ALDH1A1CA1NR1H4CYP3A4
SCHEMBL13474892 0.73 ESRRA (0.49) CA2ALDH1A1ESRRACA1NR1H4
Zinc Ion SCHEMBL4622731 0.73 CA1 (0.44) CA2ALDH1A1CA1NR1H4CYP3A4
SCHEMBL4622060 0.73 CA1 (0.44) CA2ALDH1A1CA1NR1H4CYP3A4
SCHEMBL4624139 0.73 LMNA (0.46) CA2ALDH1A1CA1NR1H4CYP3A4
SCHEMBL28934781 0.73 CA1 (0.44) CA2ALDH1A1CA1NR1H4CYP3A4
SCHEMBL29144357 0.71 TSHR (0.46) CA2ALDH1A1CA1CYP3A4TSHR

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
CN-120092027-A Monomer composition, methacrylic resin composition, method for producing same, and resin molded article 三菱化学株式会社 2025-06-03 — — CN disclosed
CN-117355501-A Methyl methacrylate-containing composition, method for preserving methyl methacrylate-containing composition, and method for producing methyl methacrylate polymer 三菱化学株式会社 2024-01-05 — — CN disclosed
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