SCHEMBL31414971

SCHEMBL31414971

CC(C)COC(=O)c1ccc(O)cc1.[Na+].[Na+].[Na+].[Na+].[O-][Si]([O-])([O-])[O-]

nearest known ligand 0.56

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
CA12 known ✓ O43570 2/20 0.54
CA1 known ✓ P00915 2/20 0.54
CA2 known ✓ P00918 2/20 0.54
ESR2 known ✓ Q92731 1/20 0.54
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
ADRB3 P13945 2/20 0.56
ESR1 P03372 3/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PLA2G1B P04054 1/20 0.49

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
SCHEMBL34633 0.92 ADRB2 (0.64) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL30830422 0.90 ADRB2 (0.62) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL156746 0.90 ADRB2 (0.62) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL17912404 0.87 ADRB2 (0.59) ADRB2ADRB1ADRB3ESR1CA12
Ethylparaben SCHEMBL5971569 0.85 CA12 (0.77) ADRB2ADRB1ADRB3ESR1CA12
Paraben SCHEMBL26132615 0.85 MAPT (0.64) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL110051 0.84 ALDH1A1 (0.64) ADRB2ADRB1ADRB3ESR1CA12
Isopropyl 4-Hydroxybenzoate SCHEMBL7660367 0.84 CA12 (0.74) ADRB2ADRB1ADRB3ESR1CA12
Propionic Acid SCHEMBL4064316 0.84 ESR1 (0.59) ADRB2ADRB1ADRB3ESR1CA12
Propylparaben SCHEMBL1200262 0.83 ESR1 (0.78) ADRB2ADRB1ADRB3ESR1CA12

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-119584951-A Composition comprising a UV filter stabilizer 西姆莱斯股份公司 2025-03-07 CN disclosed