SCHEMBL3364755

SCHEMBL3364755

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
LSS P48449 8/20 0.50
HPGD P15428 3/20 0.46
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
PGR P06401 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 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) L3MBTL1LSSMMP1MMP9MMP13
SCHEMBL3364497 0.90 LSS (0.51) L3MBTL1LSSMMP1MMP9MMP13
SCHEMBL3366148 0.89 FFAR1 (0.52) L3MBTL1LSSHPGDALDH1A1TDP1
SCHEMBL3363397 0.89 LSS (0.58) L3MBTL1LSSHPGDMMP1MMP9
SCHEMBL3364591 0.89 PGR (0.52) L3MBTL1HPGDPGRTP53ALDH1A1
SCHEMBL7704534 0.89 L3MBTL1 (0.66) L3MBTL1HPGDPGRALDH1A1
SCHEMBL3362911 0.89 L3MBTL1 (0.50) L3MBTL1LSSMMP1MMP9MMP13
SCHEMBL3365132 0.87 L3MBTL1 (0.53) L3MBTL1LSSMMP1MMP9MMP13
SCHEMBL3364981 0.86 L3MBTL1 (0.48) L3MBTL1LSSHPGDALDH1A1
SCHEMBL3363483 0.85 LSS (0.65) LSS

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