SCHEMBL2178260

SCHEMBL2178260

[Na+].[O-]CCCCCCCCO

nearest known ligand 0.42

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 15)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.35
CA2 known ✓ P00918 2/20 0.35
CA12 known ✓ O43570 1/20 0.35
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CA9 Q16790 1/20 0.35
MIF P14174 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
SCHEMBL30497974 1.00
SCHEMBL30497980 1.00 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL30497973 1.00
SCHEMBL7445801 0.96
Lithium Ion SCHEMBL30497977 0.93
Lithium Ion SCHEMBL30497983 0.93
Lithium Ion SCHEMBL30497964 0.93 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
Potassium Ion SCHEMBL30497990 0.93 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL28574121 0.93 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
Lithium Ion SCHEMBL30497988 0.93 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4201973-A1 PREPOLYMER COMPRISING A POLYOXYMETHYLENE BLOCK AND METHOD FOR PRODUCING THE SAME Covestro Deutschland AG (DE) 2023-06-28 EP claimed
EP-4201973-A1 PREPOLYMER COMPRISING A POLYOXYMETHYLENE BLOCK AND METHOD FOR PRODUCING THE SAME Covestro Deutschland AG (DE) 2023-06-28 EP disclosed
US-9328335-B2 Method to produce acetyldiacylglycerols (ac-TAGs) by expression of an acetyltransferase gene isolated from Euonymus alatus (burning bush) BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2016-05-03 US disclosed
US-20130116462-A1 METHOD TO PRODUCE ACETYLDIACYLGLYCEROLS (AC-TAGS) BY EXPRESSION OF AN ACETYLTRANSFERASE GENE ISOLATED FROM EUONYMUS ALATUS (BURNING BUSH) BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2013-05-09 US disclosed
WO-2011082253-A2 A METHOD TO PRODUCE ACETYLDIACYLGLYCEROLS (AC-TAGS) BY EXPRESSION OFAN ACETYLTRANSFERASE GENE ISOLATED FROM EUONYMUS ALATUS (BURNING BUSH) BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2011-07-07 WO disclosed
US-4104316-A Process for the preparation of 2-chlorobuta-1,3-diene BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed