SCHEMBL28060109

SCHEMBL28060109

CC(C)c1cccc(C(C)C(=O)OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.58
ALDH1A1 P00352 3/20 0.45
CASP1 P29466 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.42
PTPN1 P18031 1/20 0.42
HPGD P15428 1/20 0.42
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
FFAR1 O14842 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.40
LAP3 P28838 1/20 0.40

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
SCHEMBL28060142 0.89 GLRA1 (0.60) GLRA1ALDH1A1L3MBTL1LMNAPTPN1
SCHEMBL28060114 0.89 GLRA1 (0.60) GLRA1ALDH1A1L3MBTL1LMNAPTPN1
SCHEMBL28060106 0.89 GLRA1 (0.60) GLRA1ALDH1A1L3MBTL1LMNAPTPN1
SCHEMBL28060105 0.86 GLRA1 (0.65) GLRA1ALDH1A1L3MBTL1LMNAPTPN1
SCHEMBL28078446 0.85 GLRA1 (0.60) GLRA1ALDH1A1L3MBTL1LMNAHPGD
SCHEMBL8408603 0.82 ALDH1A1 (0.54) GLRA1ALDH1A1L3MBTL1LMNAHPGD
SCHEMBL21563730 0.82 ALDH1A1 (0.46) GLRA1ALDH1A1CASP1L3MBTL1MAPK1
SCHEMBL8326325 0.81 RXRA (0.49) GLRA1ALDH1A1L3MBTL1LMNAPTGER1
SCHEMBL26908057 0.81 GLRA1 (0.57) GLRA1ALDH1A1L3MBTL1LMNAHPGD
SCHEMBL128058 0.80 GLRA1 (0.57) GLRA1ALDH1A1LMNAHPGDPTGER1

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