SCHEMBL6675439

SCHEMBL6675439

CCCCCCCCC(CC(=O)O)[N+](C)(CCO)C(CCCCCCCC)CC(=O)O.COS(=O)(=O)[O-]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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
GPR84 Q9NQS5 4/20 0.40
HSP90AA1 P07900 3/20 0.39
PSMD14 O00487 2/20 0.39
PLA2G1B P04054 2/20 0.39
MMP2 P08253 2/20 0.39
ATG4B Q9Y4P1 2/20 0.39
RAD52 P43351 1/20 0.39
MAPK1 P28482 4/20 0.35
GMNN O75496 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
CYP1A2 P05177 3/20 0.35
MEN1 O00255 2/20 0.35
BLM P54132 2/20 0.35
KMT2A Q03164 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 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
SCHEMBL4465833 0.93 FFAR1 (0.39) MMP2GMNNLMNAMAPTNPSR1
SCHEMBL6860166 0.88 GPR84 (0.50) GPR84HSP90AA1PSMD14PLA2G1BMMP2
SCHEMBL4464049 0.81 PPARG (0.46) GPR84MMP2GMNNLMNAMAPT
SCHEMBL7785237 0.81 PSMD14 (0.37) HSP90AA1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL28341613 0.75 PSMD14 (0.48) GPR84HSP90AA1PSMD14PLA2G1BMMP2
SCHEMBL26924194 0.75 RECQL (0.43) HSP90AA1PSMD14PLA2G1BMMP2ATG4B
SCHEMBL10276873 0.75 RECQL (0.43) GPR84HSP90AA1PSMD14PLA2G1BMMP2
SCHEMBL12095543 0.74 CES2 (0.37) MAPK1LMNAMAPTMEN1KMT2A
SCHEMBL9074998 0.74 PSMD14 (0.73) GPR84HSP90AA1PSMD14PLA2G1BMMP2
SCHEMBL10588884 0.73 PSMD14 (0.40) GPR84HSP90AA1PSMD14PLA2G1BMMP2

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-20040258649-A1 Aqueous formulations comprising combinations of anionic and cationic surfactants for generating a yeild point GOLDSCHMIDT AG (DE) 2004-12-23 US disclosed
EP-1466959-A1 Aqueous compositions containing anionic and cationic surfactants for obtaining a yield point Goldschmidt AG (DE) 2004-10-13 EP disclosed