SCHEMBL7550210

SCHEMBL7550210

COC(=O)c1cc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
HTT P42858 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
EGFR P00533 3/20 0.53
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
ERN1 O75460 1/20 0.51
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL7544435 0.84 SMN1; SMN2 (0.58) SMN1; SMN2HTTNPC1RAB9AEGFR
SCHEMBL12697047 0.83 SMN1; SMN2 (0.64) SMN1; SMN2HTTNPC1RAB9ANR1H4
SCHEMBL27916802 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HTTERN1PPARGPPARA
SCHEMBL17194791 0.81 SMN1; SMN2 (1.00) SMN1; SMN2HTTNPC1RAB9AEPHX2
SCHEMBL18560604 0.77 SMN1; SMN2 (0.67) SMN1; SMN2HTTNPC1RAB9AEGFR
SCHEMBL6848908 0.75 SMN1; SMN2 (0.66) SMN1; SMN2L3MBTL1KMT2ALMNAHPGD
SCHEMBL24162968 0.75 HPGD (0.70) SMN1; SMN2NPC1RAB9AEPHX2NR1H4
SCHEMBL1926263 0.74 NPC1 (1.00) SMN1; SMN2HTTNPC1RAB9AEPHX2
SCHEMBL13812735 0.74 HPGD (0.65) SMN1; SMN2HTTRAB9AERN1L3MBTL1
SCHEMBL5681720 0.73 ERCC1 (0.69) SMN1; 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-2002044128-A2 SALICYLATE ANALOGS AS INTERLEUKIN-4 ANTAGONISTS SUNESIS PHARMACEUTICALS, INC. (US) 2002-06-06 WO disclosed