Anthralin

Anthralin

SCHEMBL5555097

CC(C)(O)C(Cl)(Cl)Cl.O=C1c2c(O)cccc2Cc2cccc(O)c21

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
ALDH1A1 P00352 4/20 0.71
TDP1 Q9NUW8 4/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
TSHR P16473 3/20 0.71
ALOX15 P16050 3/20 0.71
HSD17B10 Q99714 3/20 0.71
CYP3A4 P08684 3/20 0.71
USP2 O75604 2/20 0.71
HPN P05981 1/20 0.71
ALOX5 P09917 1/20 0.71
THRB P10828 1/20 0.71
PTGS1 P23219 1/20 0.71
PDE4A P27815 1/20 0.71
KDR P35968 1/20 0.71
SIRT5 Q9NXA8 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
HRH3 Q9Y5N1 1/20 0.71
TNF P01375 1/20 0.46

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
Anthralin SCHEMBL30013383 0.84 MAPT (1.00) MAPTALDH1A1TDP1MEN1KMT2A
Anthralin SCHEMBL3197 0.84 MAPT (1.00) MAPTALDH1A1TDP1MEN1KMT2A
Anthralin SCHEMBL29439039 0.84 MAPT (1.00) MAPTALDH1A1TDP1MEN1KMT2A
Anthralin SCHEMBL7555831 0.82 MAPT (0.96) MAPTALDH1A1TDP1MEN1KMT2A
Anthralin SCHEMBL188254 0.81 MAPT (0.85) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL11206395 0.77 ALDH1A1 (0.65) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL31509436 0.74 ALDH1A1 (0.71) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL29929084 0.74 ALDH1A1 (0.71) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL1003557 0.74 ALDH1A1 (0.71) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL12775753 0.74 ALDH1A1 (0.71) MAPTALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460995-A4 TRANSDERMAL TRANSPORT OF COMPOUNDS VITAL HEALTH SCIENCES PTY LTD (AU) 2007-11-21 EP disclosed
EP-1460995-A1 TRANSDERMAL TRANSPORT OF COMPOUNDS Vital Health Sciences Pty Ltd. (AU) 2004-09-29 EP disclosed
WO-2003049774-A1 TRANSDERMAL TRANSPORT OF COMPOUNDS VITAL HEALTH SCIENCES PTY LTD (AU) 2003-06-19 WO disclosed