SCHEMBL28061354

SCHEMBL28061354

CC(C)c1cccc(C(C=O)C2CC2)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.47
BCHE P06276 5/20 0.40
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SLC6A4 P31645 2/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
FFAR1 O14842 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL28060091 0.83 GLRA1 (0.49) GLRA1BCHEMAOAMAOBSLC6A4
SCHEMBL28060108 0.83 GLRA1 (0.49) GLRA1BCHEMAOAMAOBSLC6A4
SCHEMBL9261857 0.81 GLRA1 (0.53) GLRA1BCHEMAOAMAOBFFAR1
SCHEMBL28060083 0.81 GLRA1 (0.53) GLRA1BCHEMAOAMAOBFFAR1
SCHEMBL28078446 0.81 GLRA1 (0.60) GLRA1BCHEMAOB
SCHEMBL28061351 0.80 GLRA1 (0.53) GLRA1PTGER4PTGER3PTGER2FFAR1
SCHEMBL6035907 0.76 GLRA1 (0.50) GLRA1BCHEMAOAMAOBPTGER4
SCHEMBL28060089 0.74 GLRA1 (0.54) GLRA1BCHEMAOBFFAR1
SCHEMBL26908057 0.74 GLRA1 (0.57) GLRA1HTR1ASLC6A2SLC6A3FFAR1
SCHEMBL28060150 0.74 GLRA1 (0.54) GLRA1BCHEMAOBFFAR1

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-105384604-B A kind of cumene amphyl and preparation method thereof 四川海思科制药有限公司 2019-07-05 CN disclosed
CN-105384604-A Isopropyl-phenol derivative and preparation method therefor SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed