SCHEMBL8065978

SCHEMBL8065978

CCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCC)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.50

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 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
RECQL P46063 3/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.45
BLM P54132 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAD52 P43351 1/20 0.44
FAAH O00519 2/20 0.43
DGKA P23743 1/20 0.42
HTR2C P28335 1/20 0.42
EPHX1 P07099 1/20 0.40
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL5075106 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1
SCHEMBL5490907 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1
SCHEMBL2231100 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1
SCHEMBL22809 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1
SCHEMBL283124 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1
SCHEMBL8061841 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1
SCHEMBL11041621 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1
SCHEMBL1282784 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1
SCHEMBL219917 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1
SCHEMBL1146939 1.00 NAAA (0.50) NAAARECQLTSHRMAPK1NPSR1

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
CN-119775979-A Stable foam control agent with rapid dispersion 江苏四新科技应用研究所股份有限公司 2025-04-08 CN claimed
US-6103763-A Methods of killing insects H & I AGRITECH, INC. (US) 2000-08-15 US claimed
CN-113727693-A Composition for cleaning and/or removing make-up from keratin materials 莱雅公司 2021-11-30 CN disclosed
CN-111432786-A Body care agent preparation kit 汉高股份有限及两合公司 2020-07-17 CN disclosed