SCHEMBL8302497

SCHEMBL8302497

C=COc1cccc(Oc2ccc(C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
NLRP1 Q9C000 1/20 0.46
NOD2 Q9HC29 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.43
TEAD4 Q15561 1/20 0.42
SLC5A2 P31639 1/20 0.42
POLB P06746 1/20 0.41
FURIN P09958 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 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
SCHEMBL83816 0.84 TDP1 (0.61) HTTTDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL15085780 0.81 SMN1; SMN2 (0.60) HTTTDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4252848 0.80 ALDH1A1 (0.36) TDP1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL10036476 0.79 ALDH1A1 (0.71) HTTTDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1834344 0.79 ACHE (0.56) HTTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL14280533 0.79 HTT (0.56) HTTTDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14612631 0.79 TDP1 (0.55) HTTTDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL16450319 0.79 CYP1A2 (0.44) MAPTFFAR4MAOB
SCHEMBL194091 0.78 ACHE (0.48) HTTTDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30358269 0.77 SMN1; SMN2 (0.69) HTTTDP1L3MBTL1ALDH1A1SMN1; SMN2

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
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 WO disclosed