SCHEMBL3895877

SCHEMBL3895877

C=C(CCCS(=O)(=O)O)C(=O)O.C=CC(=O)NCC(CC)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Methacrylic Acid SCHEMBL160887 0.82 TSHR (0.39) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28300 0.82 ZDHHC20 (0.44) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Acrylic Acid SCHEMBL7528349 0.80 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL28069295 0.80 ZDHHC20 (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Ammonia Solution, Strong SCHEMBL139208 0.80 ZDHHC20 (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL686653 0.80 ZDHHC20 (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Acrylamide SCHEMBL8157330 0.76 ZDHHC20 (0.40) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL631536 0.75 THRB (0.35) ZDHHC20ZDHHC2TSHR
SCHEMBL5668122 0.75 ZDHHC20 (0.39) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Crotonic Acid SCHEMBL1001175 0.75 ZDHHC20 (0.36) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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
EP-1490411-B1 METHOD FOR CONTROLLING THE STABILITY OF EMULSIONS AND STABILIZED EMULSIONS RHODIA CHIMIE SA (FR) 2009-01-21 EP claimed