SCHEMBL7719632

SCHEMBL7719632

C=C(C)COOc1ccccc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.35
HSD17B10 Q99714 1/20 0.33
GPR174 Q9BXC1 1/20 0.33
HTR6 P50406 1/20 0.33
CYP1A2 P05177 1/20 0.32
ELANE P08246 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
TTR P02766 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL29377861 0.84 GPR174 (0.40) MYCHSD17B10GPR174ALDH1A1MAPT
SCHEMBL28076 0.84 GPR174 (0.40) MYCHSD17B10GPR174ALDH1A1MAPT
SCHEMBL570808 0.83 GPR174 (0.39) MYCHSD17B10GPR174ALDH1A1MAPT
SCHEMBL570810 0.83 GPR174 (0.39) MYCHSD17B10GPR174HTR6ALDH1A1
Ammonia Solution, Strong SCHEMBL6716826 0.83 GPR174 (0.39) MYCHSD17B10GPR174ALDH1A1MAPT
SCHEMBL8983185 0.77 MYC (0.42) MYCHSD17B10HTR6CYP1A2ELANE
SCHEMBL1702913 0.75 TXNRD1 (0.36) HSD17B10GPR174CYP1A2ALDH1A1MAPT
SCHEMBL29648895 0.74 ALDH1A1 (0.43) MYCHSD17B10GPR174CYP1A2ALDH1A1
SCHEMBL27855383 0.73 MYC (0.39) MYCHSD17B10HTR6CYP1A2ELANE
SCHEMBL5698446 0.73 MYC (0.42) MYCHSD17B10HTR6CYP1A2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165450-A1 RUST AND SCALE REMOVAL COMPOSITION AND PROCESS Calgon Corporation (US) 2002-01-02 EP claimed
US-6310024-B1 AQUEOUS DISPERSION OF SOLIDS IN WATER CONSISTING OF INORGANIC REDUCING AGENT, CHELATING AGENT, LOW FOAM PENETRATING SURFACTANT, WATER SOLUBLE POLYMERIC DISPERSANT CALGON CORPORATION 2001-10-30 US claimed
WO-2000058228-A1 RUST AND SCALE REMOVAL COMPOSITION AND PROCESS CALGON CORPORATION (US) 2000-10-05 WO claimed
EP-1165450-A1 RUST AND SCALE REMOVAL COMPOSITION AND PROCESS Calgon Corporation (US) 2002-01-02 EP disclosed
US-6310024-B1 AQUEOUS DISPERSION OF SOLIDS IN WATER CONSISTING OF INORGANIC REDUCING AGENT, CHELATING AGENT, LOW FOAM PENETRATING SURFACTANT, WATER SOLUBLE POLYMERIC DISPERSANT CALGON CORPORATION 2001-10-30 US disclosed
WO-2000058228-A1 RUST AND SCALE REMOVAL COMPOSITION AND PROCESS CALGON CORPORATION (US) 2000-10-05 WO disclosed