SCHEMBL29757397

SCHEMBL29757397

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

nearest known ligand 0.31

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 1)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 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
SCHEMBL4665221 0.87 CA2 (0.31) CA2
SCHEMBL2992792 0.80 CYP3A4 (0.30)
SCHEMBL7100292 0.80 CYP3A4 (0.46) CA2
Potassium Ion SCHEMBL7955201 0.77 CYP3A4 (0.42) CA2
Potassium Ion SCHEMBL11581377 0.75 CYP3A4 (0.31)
SCHEMBL1244940 0.74 CA1 (0.42) CA2
SCHEMBL9838460 0.73 CA2 (0.41) CA2
SCHEMBL7095718 0.73 CA2 (0.44) CA2
SCHEMBL587186 0.72 CA2 (0.33) CA2
SCHEMBL7102067 0.72 CYP3A4 (0.33) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291136-A1 PARTICLES CONTAINING COLORING AGENTS AND METHODS OF USING THE SAME Ephemeral Solutions, Inc. (US) 2023-12-20 EP disclosed
EP-4171500-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER Wella Germany GmbH (DE) 2023-05-03 EP disclosed
WO-2022174078-A1 PARTICLES CONTAINING COLORING AGENTS AND METHODS OF USING THE SAME EPHEMERAL SOLUTIONS, INC. (US) 2022-08-18 WO disclosed