SCHEMBL3363397

SCHEMBL3363397

CN(CCO)CCCCCCOc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.58
L3MBTL1 Q9Y468 1/20 0.48
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL3368819 0.90 LSS (0.51) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3364497 0.90 LSS (0.51) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3367242 0.89 PGR (0.52) LSSL3MBTL1TDP1TP53
SCHEMBL3364934 0.89 FFAR1 (0.52) LSSL3MBTL1TDP1ALDH1A1LTA4H
SCHEMBL3364755 0.89 L3MBTL1 (0.51) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL7704977 0.89 L3MBTL1 (0.62) LSSL3MBTL1TDP1HPGDALDH1A1
SCHEMBL3362911 0.89 L3MBTL1 (0.50) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3363107 0.88 LSS (0.48) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3365132 0.87 L3MBTL1 (0.53) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3366906 0.86 LSS (0.56) LSSL3MBTL1TDP1HPGD

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
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed