SCHEMBL28056878

SCHEMBL28056878

Cc1cc(OCc2ccccc2)ccc1C(=O)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SRD5A2 P31213 2/20 0.49
PARP10 Q53GL7 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
SMPD1 P17405 1/20 0.47

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
SCHEMBL7881166 0.87 MAOB (0.59) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL17958912 0.87 MAOB (0.59) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL11589577 0.86 MEN1 (0.65) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL1022035 0.85 MAOB (0.64) MAOBNR4A2NR4A1NR4A3MEN1
Benzene SCHEMBL28056879 0.85 MAOB (0.64) MAOBNR4A2NR4A1NR4A3MEN1
Hydrochloric Acid SCHEMBL9440598 0.84 MAOB (0.62) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL588979 0.84 MAOB (0.76) MAOBNR4A2NR4A1NR4A3SMN1; SMN2
SCHEMBL9440593 0.83 MAOB (0.61) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL10974452 0.83 MAOB (0.61) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL14315506 0.82 SRD5A2 (0.60) MAOBNR4A2NR4A1NR4A3MEN1

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
CN-105518014-A C-aryl glucoside derivative, preparation method and application thereof in medicine JIANGSU HANSOH PHARMACEUTICAL 2016-04-20 CN disclosed