SCHEMBL5314692

SCHEMBL5314692

O=S(=O)(Nc1c[c]ccc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.54
AR P10275 7/20 0.52
CYP19A1 P11511 2/20 0.51
PTGES2 Q9H7Z7 1/20 0.48
ACLY P53396 1/20 0.44
PGR P06401 1/20 0.42
BRD4 O60885 1/20 0.41
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL8604964 0.85 CYP19A1 (0.53) ARCYP19A1ACLYBRD4MEN1
SCHEMBL2207835 0.81 HPGD (0.53) SLC40A1ACLYPOLBMEN1KMT2A
SCHEMBL2204950 0.77 SLC40A1 (0.46) SLC40A1PTGES2ACLYKMT2A
SCHEMBL14844725 0.76 SLC40A1 (0.73) SLC40A1ARCYP19A1PTGES2MCL1
SCHEMBL8752447 0.75 CYP19A1 (0.69) SLC40A1ARCYP19A1PTGES2ACLY
SCHEMBL2209258 0.74 FFAR4 (0.51) SLC40A1POLB
SCHEMBL2208959 0.73 ALDH1A1 (0.50) SLC40A1POLBMEN1KMT2A
SCHEMBL183414 0.73 MAPT (0.48) TDP1
SCHEMBL2209302 0.73 SLC40A1 (0.46) SLC40A1MEN1KMT2A
SCHEMBL2206279 0.73 MEN1 (0.50) SLC40A1TDP1MEN1KMT2A

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-1341753-B1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-26 EP disclosed
EP-1341753-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-09-10 EP disclosed
WO-2002044139-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed