SCHEMBL28060115

SCHEMBL28060115

C=C[C@@H](C)c1cccc(C(C)C)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.50
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
BCHE P06276 5/20 0.37
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL28060116 1.00 GLRA1 (0.50) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL28078446 0.87 GLRA1 (0.60) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL28060083 0.85 GLRA1 (0.53) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL9261857 0.85 GLRA1 (0.53) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL28060079 0.83 GLRA1 (0.54) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL28060089 0.83 GLRA1 (0.54) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL28060150 0.83 GLRA1 (0.54) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL26908057 0.80 GLRA1 (0.57) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL25760547 0.80 GLRA1 (0.45) GLRA1MAPTTDP1L3MBTL1BCHE
SCHEMBL28060081 0.78 GLRA1 (0.55) GLRA1MAPK1MAPTTDP1L3MBTL1

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-105384608-B A kind of cumene amphyl and preparation method thereof 四川海思科制药有限公司 2019-08-16 CN disclosed
CN-105384608-A Isopropyl-phenol derivative and preparation method therefor SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed