SCHEMBL8107615

SCHEMBL8107615

NCCCCCCCC(=O)[O-].[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
SCHEMBL11341121 1.00 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB
Aminocaproic Acid SCHEMBL4608459 1.00 LMNA (0.56) LMNAMEN1ALDH1A1PLGTHRB
SCHEMBL30758644 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552091-A Preparation method and application of 8-amino octanoic acid 黄冈鲁班药业股份有限公司 2025-03-04 CN claimed
US-20150329728-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS CHEMICAL COMPANY (US) 2015-11-19 US claimed
EP-2935477-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS Chemical Company (US) 2015-10-28 EP claimed
WO-2014099213-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS CHEMICAL COMPANY (US) 2014-06-26 WO claimed
CN-119552091-A Preparation method and application of 8-amino octanoic acid 黄冈鲁班药业股份有限公司 2025-03-04 CN disclosed
CN-116850134-A Transdermal drug delivery preparation of polypeptide substance and preparation method thereof 杭州医学院 2023-10-10 CN disclosed
US-20150329728-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS CHEMICAL COMPANY (US) 2015-11-19 US disclosed
EP-2935477-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS Chemical Company (US) 2015-10-28 EP disclosed
WO-2014099213-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS CHEMICAL COMPANY (US) 2014-06-26 WO disclosed
US-6084112-A Method for preparing ω-aminoalkanoic acid derivatives from cycloalkanones EMISPHERE TECHNOLOGIES, INC. (US) 2000-07-04 US disclosed
WO-1997010197-A1 METHOD FOR PREPARING φ-AMINOALKANOIC ACID DERIVATIVES FROM CYCLOALKANONES EMISPHERE TECHNOLOGIES, INC. (US) 1997-03-20 WO disclosed