SCHEMBL3672332

SCHEMBL3672332

CC=Cc1ccccc1Oc1ccccc1C=CC.O=[C-]O.[Na+]

nearest known ligand 0.44

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
TLR4 known ✓ O00206 1/20 0.38
LY96 known ✓ Q9Y6Y9 1/20 0.36
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
NFE2L2 Q16236 3/20 0.42
TFEB P19484 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ATM Q13315 2/20 0.38
LMNA P02545 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TLR2 O60603 1/20 0.38
BCHE P06276 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3669785 0.87 NFE2L2 (0.45) HTTKMT2AMEN1NFE2L2TFEB
SCHEMBL21110871 0.87 NFE2L2 (0.45) HTTKMT2AMEN1NFE2L2TFEB
Phosphoric Acid SCHEMBL21144485 0.84 HTT (0.45) HTTKMT2AMEN1NFE2L2TFEB
Sulfuric Acid SCHEMBL21110870 0.84 HTT (0.45) HTTKMT2AMEN1NFE2L2TFEB
Sulfuric Acid SCHEMBL3667450 0.82 HTT (0.44) HTTKMT2AMEN1NFE2L2TFEB
SCHEMBL16116225 0.79 HTT (0.45) HTTKMT2AMEN1NFE2L2TFEB
SCHEMBL7896151 0.76 LMNA (0.47) HTTKMT2AMEN1NFE2L2TFEB
SCHEMBL7896154 0.76 LMNA (0.47) HTTKMT2AMEN1NFE2L2TFEB
SCHEMBL23037148 0.76 LMNA (0.53) HTTKMT2ANFE2L2GAASMN1; SMN2
SCHEMBL23037147 0.76 LMNA (0.53) HTTKMT2ANFE2L2GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699828-B1 POLYMER LATEX HAVING EXCELLENT IMPACT-RESISTANCE AND POWDER FLOW PROPERTY AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2010-03-24 EP claimed
US-20050203247-A1 Polymer latex having excellent impact-resistance and powder flow property and method for preparing the same LG CHEM, LTD. (KR) 2005-09-15 US claimed
EP-1699828-B1 POLYMER LATEX HAVING EXCELLENT IMPACT-RESISTANCE AND POWDER FLOW PROPERTY AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2010-03-24 EP disclosed
US-20050203247-A1 Polymer latex having excellent impact-resistance and powder flow property and method for preparing the same LG CHEM, LTD. (KR) 2005-09-15 US disclosed