SCHEMBL4619909

SCHEMBL4619909

COc1ccccc1C(=O)S(=O)(=O)NC(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
CTSD P07339 1/20 0.45
KMT2A Q03164 1/20 0.45
ADAMTS4 O75173 1/20 0.44
KCNA3 P22001 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP3 P42574 1/20 0.43
STAT3 P40763 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL4622868 1.00 HPGD (0.49) HPGDALDH1A1NPC1RAB9ACTSD
SCHEMBL4620643 1.00 HPGD (0.49) HPGDALDH1A1NPC1RAB9ACTSD
SCHEMBL4623965 0.82 NPC1 (0.46) HPGDALDH1A1NPC1RAB9ACTSD
SCHEMBL4621222 0.82 NPC1 (0.46) HPGDALDH1A1NPC1RAB9ACTSD
SCHEMBL4621354 0.82 NPC1 (0.46) HPGDALDH1A1NPC1RAB9ACTSD
SCHEMBL4620829 0.77 ADAMTS4 (0.53) HPGDALDH1A1KMT2AADAMTS4HTT
SCHEMBL4620791 0.77 ADAMTS4 (0.53) HPGDALDH1A1KMT2AADAMTS4HTT
SCHEMBL4621468 0.77 ADAMTS4 (0.53) HPGDALDH1A1KMT2AADAMTS4HTT
SCHEMBL4620131 0.77 ITGAV (0.60) HPGDALDH1A1KMT2AADAMTS4HSD17B10
SCHEMBL4622372 0.77 ITGAV (0.60) HPGDALDH1A1KMT2AADAMTS4HSD17B10

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-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed