SCHEMBL28023322

SCHEMBL28023322

Cc1ccc(SCC(O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.41
RAB9A P51151 3/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
FKBP1A P62942 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL28820942 0.91 L3MBTL1 (0.50) MAPTHPGDRAB9AL3MBTL1ALDH1A1
SCHEMBL12789031 0.81 MAPT (0.42) MAPTRAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL4720208 0.79 HPGD (0.46) MAPTHPGDRAB9AUSP2L3MBTL1
SCHEMBL28023861 0.78 MEN1 (0.40) MAPTHPGDRAB9AUSP2L3MBTL1
SCHEMBL1496782 0.75 LMNA (0.50) MAPTRAB9AL3MBTL1ALDH1A1MAPK1
SCHEMBL772925 0.74 CA1 (0.45) MAPTHPGDRAB9AUSP2ALDH1A1
SCHEMBL15855667 0.74 HPGD (0.49) MAPTHPGDRAB9AUSP2L3MBTL1
SCHEMBL28754175 0.74 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL18472987 0.74 ALDH1A1 (0.48) MAPTHPGDRAB9AUSP2L3MBTL1
SCHEMBL3926773 0.74 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2LMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744325-B A kind of Alpha-hydroxy thioether and preparation method and application 中国人民大学 2016-08-17 CN disclosed
CN-104744325-A Alpha- hydroxysulfide and preparation method and application thereof PEOPLES UNIV CHINA 2015-07-01 CN disclosed