SCHEMBL14937708

SCHEMBL14937708

CCCCCCCCCCCC(=O)N(CCO)CCNCCC(=O)[O-].[Na+]

nearest known ligand 0.47

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 13)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.39
GPR84 Q9NQS5 1/20 0.40
FABP3 P05413 6/20 0.39
DNM1 Q05193 2/20 0.38
NFKB1 P19838 1/20 0.38
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KDM5A P29375 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL1959854 0.92 FABP3 (0.42) GPR84FABP3CA1DNM1NFKB1
Potassium Ion SCHEMBL15842271 0.89 FABP3 (0.44) GPR84FABP3DNM1
SCHEMBL9633196 0.87 DNM1 (0.43) DNM1KDM5APHF8KDM4C
SCHEMBL526024 0.86 FABP3 (0.54) FABP3
SCHEMBL11502569 0.86 KDM5A (0.47) GPR84FABP3KDM5APHF8KDM4C
SCHEMBL30871997 0.86 GPR84 (0.46) GPR84FABP3CA1NFKB1FFAR3
SCHEMBL14937709 0.85 KDM5A (0.46) GPR84FABP3KDM5APHF8KDM4C
SCHEMBL5807681 0.81 KDM5A (0.47) GPR84FABP3KDM5APHF8KDM4C
SCHEMBL5806921 0.81 KDM5A (0.47) GPR84FABP3KDM5APHF8KDM4C
SCHEMBL1914762 0.81 KDM5A (0.47) GPR84FABP3KDM5APHF8KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062137-B2 Block copolymer and antistatic agent comprising same TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-06-23 US disclosed
US-20130123434-A1 BLOCK COPOLYMER AND ANTISTATIC AGENT COMPRISING SAME TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-16 US disclosed