SCHEMBL30758644

SCHEMBL30758644

NCCCCCCCC(=O)[O-].NCCCCCCCC(=O)[O-].[Na+].[Na+]

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
THRB known ✓ P10828 1/20 0.56
CA1 known ✓ P00915 3/20 0.50
CA12 known ✓ O43570 2/20 0.42
CA2 known ✓ P00918 2/20 0.42
CA4 known ✓ P22748 2/20 0.42
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PLG P00747 1/20 0.56
ALOX15 P16050 1/20 0.56
SLC6A2 P23975 1/20 0.56
RECQL P46063 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KMT2A Q03164 1/20 0.56
PAOX Q6QHF9 1/20 0.54
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52
BLM P54132 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FABP3 P05413 4/20 0.43

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
SCHEMBL30279462 1.00 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB
SCHEMBL8107615 1.00 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB
SCHEMBL11341121 1.00 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB
Aminocaproic Acid SCHEMBL4608459 1.00 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB
5-Aminovaleric Acid SCHEMBL9129404 0.97
Glutarate SCHEMBL30386825 0.95 CA1 (0.50) LMNAMEN1ALDH1A1PLGTHRB
Aminocaproic Acid SCHEMBL11121733 0.95 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB
SCHEMBL17290449 0.95 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB
Aminocaproic Acid SCHEMBL9128426 0.95 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB
Potassium Ion SCHEMBL11126518 0.95 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB

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-117545509-A Oral delivery of oligonucleotides 四纬生物制药股份有限公司 2024-02-09 CN disclosed