SCHEMBL7070103

SCHEMBL7070103

CCCCCCC(Sc1cccc(OC)c1)C(=O)ON

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.53
PPARG P37231 4/20 0.53
PPARA Q07869 3/20 0.53
MTNR1A P48039 10/20 0.48
MTNR1B P49286 10/20 0.48
EPHX2 P34913 2/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 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
Hydroxyamine SCHEMBL7070102 0.88 PPARG (0.64) ALOX5PPARGPPARAMTNR1AMTNR1B
SCHEMBL7465093 0.85 PPARG (0.51) ALOX5PPARGPPARAPTGES
SCHEMBL6931961 0.85 MMP9 (0.56) ALOX5PPARGPPARAMTNR1AMTNR1B
SCHEMBL7650530 0.77 MMP9 (0.46) ALOX5PPARGPPARATSHRMAPK1
SCHEMBL8856146 0.76 PPARG (0.52) ALOX5PPARGPPARAALDH1A1PTGES
SCHEMBL6927165 0.75 ALOX5 (0.53) ALOX5PPARGPPARAPTGES
SCHEMBL6929348 0.75 ALOX5 (0.53) ALOX5PPARGPPARAPTGES
SCHEMBL6934185 0.74 ALOX5 (0.53) ALOX5PPARGPPARAPTGES
Hydroxyamine SCHEMBL7465088 0.73 PPARG (0.63) ALOX5PPARGPPARAPTGES
SCHEMBL29756836 0.72 MTNR1A (0.52) ALOX5PPARGPPARAMTNR1AMTNR1B

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-0970046-B1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2003-12-10 EP disclosed