SCHEMBL7762175

SCHEMBL7762175

CCCCCCCCC(CCCC)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

nearest known ligand 0.44

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
CA2 known ✓ P00918 1/20 0.44
CA1 known ✓ P00915 1/20 0.38
RECQL P46063 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
SLC25A20 O43772 3/20 0.40
TP53 P04637 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL8376547 0.99 GPR84 (0.42) CA2RECQLGPR84SLC25A20TP53
SCHEMBL478459 0.99 GPR84 (0.42) CA2RECQLGPR84SLC25A20TP53
Potassium Ion SCHEMBL11053756 0.97 RECQL (0.43) CA2RECQLGPR84SLC25A20TP53
SCHEMBL28190358 0.96 RECQL (0.46) CA2RECQLGPR84SLC25A20TP53
SCHEMBL8402079 0.92 CA1 (0.38) CA2RECQLGPR84SLC25A20TP53
SCHEMBL5965211 0.92 RECQL (0.43) CA2RECQLGPR84SLC25A20TP53
SCHEMBL16266427 0.90 CA1 (0.38) CA2RECQLGPR84SLC25A20TP53
SCHEMBL10798914 0.89 RECQL (0.48) CA2RECQLGPR84SLC25A20TP53
SCHEMBL9131227 0.89 GPR84 (0.41) CA2GPR84SLC25A20TP53CYP2D6
SCHEMBL478457 0.89 GPR84 (0.41) CA2GPR84SLC25A20TP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638705-B1 ANCHOR BOLT FIXING CAPSULE ASAHI CHEMICAL IND (JP) 2001-06-20 EP disclosed
US-5544981-A CASING HOLDS CURABLE RESIN, CURING AGENT AND SURFACTANT; ACTIVATED BY ACTION OF ANCHOR BOLT BEING DRIVEN INTO CAPSULE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-08-13 US disclosed
EP-0638705-A1 ANCHOR BOLT FIXING CAPSULE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-02-15 EP disclosed