SCHEMBL28078446

SCHEMBL28078446

CC(C)c1cccc(C(C)C)c1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.60
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 1/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
ALOX5 P09917 1/20 0.43
BCHE P06276 2/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL9261857 0.87 GLRA1 (0.53) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL8406586 0.85 GLRA1 (0.51) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL8406366 0.85 HTR1A (0.53) GLRA1BCHE
SCHEMBL9946104 0.85 IDO1 (0.52) GLRA1L3MBTL1MAOBTSHRALDH1A1
SCHEMBL6035907 0.84 GLRA1 (0.50) GLRA1MAPK1MAPTTDP1L3MBTL1
SCHEMBL128058 0.84 GLRA1 (0.57) GLRA1LMNAALDH1A1HPGD
SCHEMBL31419968 0.82 GLRA1 (0.62) GLRA1MAPTTDP1MAOBLMNA
SCHEMBL8406368 0.82 LCK (0.46) GLRA1MAOBBCHE
SCHEMBL14200117 0.82 HTR1A (0.50) GLRA1MAPK1MAPTLMNAALDH1A1
SCHEMBL6036279 0.82 GLRA1 (0.54) GLRA1LMNAHPGD

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-105849088-A Pharmacologically active compounds 利物浦大学 2016-08-10 CN disclosed