SCHEMBL14632255

SCHEMBL14632255

COc1cc(O)ccc1S(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
APP P05067 1/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CAPN1 P07384 3/20 0.41
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.41
MAOA P21397 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BACE1 P56817 1/20 0.39
PTPN1 P18031 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL7861018 0.81 CA12 (0.52) CYP3A4MAPTMEN1KMT2A
SCHEMBL17689736 0.79 ALDH1A1 (0.51) MAPT
SCHEMBL10669071 0.79 CA12 (0.50) CYP3A4MAPTMEN1KMT2A
SCHEMBL19485790 0.77 CA1 (0.40) MAPTMEN1KMT2ATDP1
SCHEMBL14632254 0.74 ESR2 (0.39) MAOBESR1ESR2CYP3A4MAOA
SCHEMBL6784765 0.74 CA1 (0.50) CYP3A4MAPTKMT2ATDP1
SCHEMBL30785063 0.74 CA1 (0.50) CYP3A4MAPTKMT2ATDP1
SCHEMBL21605498 0.73 GAA (0.62) MAPTMEN1KMT2ATDP1
SCHEMBL11306042 0.72 CA1 (0.48) CYP3A4MAPTKMT2ATDP1
SCHEMBL7509892 0.72 CA1 (0.48) CYP3A4MAPTKMT2ATDP1

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
US-7169499-B2 Sulfonated polyphosphazenes, uses thereof, and methods for preparing same PARALLEL SOLUTIONS, INC. (US) 2007-01-30 US disclosed