SCHEMBL7656808

SCHEMBL7656808

CCCCCCC(Sc1ccc(NC2CCCC2)cc1)C(=O)ON

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
PPARG P37231 7/20 0.38
ALOX5 P09917 7/20 0.38
PPARA Q07869 5/20 0.38
PTGES O14684 4/20 0.38
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CHRM3 P20309 1/20 0.35
ALOX15 P16050 1/20 0.35
PTGS2 P35354 1/20 0.35
PSEN1 P49768 1/20 0.35

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 SCHEMBL7551596 0.88 PPARG (0.46) MMP9MMP13ADAM17EPHX1EPHX2
SCHEMBL6931969 0.85 MMP9 (0.55) MMP9MMP13ADAM17EPHX1EPHX2
SCHEMBL7650530 0.80 MMP9 (0.46) MMP9MMP13ADAM17PPARGALOX5
SCHEMBL7656991 0.78 PPARG (0.56) MMP9MMP13ADAM17PPARGALOX5
SCHEMBL7465093 0.77 PPARG (0.51) MMP9MMP13ADAM17PPARGALOX5
SCHEMBL7554706 0.76 SMN1; SMN2 (0.46) MMP9MMP13ADAM17PPARGALOX5
SCHEMBL8856146 0.71 PPARG (0.52) MMP9MMP13ADAM17PPARGALOX5
SCHEMBL10377002 0.70 MMP9 (0.45) MMP9MMP13ADAM17PPARGALOX5
SCHEMBL6656240 0.70 ALOX5 (0.49) MMP9MMP13ADAM17PPARGALOX5
SCHEMBL7070103 0.69 ALOX5 (0.53) EPHX2PPARGALOX5PPARAPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462073-B2 METALLOPROTEASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION 2002-10-08 US disclosed
US-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed