SCHEMBL31636033

SCHEMBL31636033

CN(CC(=O)[O-])CC(=O)O.CN(CC(=O)[O-])CC(=O)O.CN(CC(=O)[O-])CC(=O)O.[Na+].[Na+].[Na+]

nearest known ligand 0.39

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
ACE known ✓ P12821 1/20 0.36
CA4 known ✓ P22748 1/20 0.35
CA2 known ✓ P00918 1/20 0.33
CA1 known ✓ P00915 1/20 0.32
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
MVD P53602 1/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL28432505 0.98 KDM4E (0.35) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL150760 0.89 KDM4E (0.42) KDM4EALOX15MAPTSMN1; SMN2CA4
Potassium Ion SCHEMBL434991 0.84 BBOX1 (0.37) KDM4EALOX15MAPTSMN1; SMN2CA4
SCHEMBL30831235 0.84 BBOX1 (0.37) KDM4EALOX15MAPTSMN1; SMN2CA4
SCHEMBL692963 0.84 BBOX1 (0.37) KDM4EALOX15MAPTSMN1; SMN2CA4
SCHEMBL29276294 0.84 CYP2C19 (0.41) KDM4EALOX15MAPTSMN1; SMN2CA4
SCHEMBL22061 0.84 TDP1 (0.47) KDM4EALOX15TDP1EYA2APP
SCHEMBL6550670 0.81 TDP1 (0.45) KDM4EALOX15TDP1EYA2APP
SCHEMBL6323180 0.81 TDP1 (0.45) KDM4EALOX15TDP1EYA2APP
SCHEMBL6518392 0.81 TDP1 (0.45) KDM4EALOX15TDP1EYA2APP

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
US-20250205683-A1 LIFETIME IMPROVEMENT OF FUNCTIONALIZED MATERIALS X DEV LLC (US) 2025-06-26 US disclosed