SCHEMBL28575431

SCHEMBL28575431

CCCOc1ccccc1CC(CC)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.47
PPARG P37231 8/20 0.44
PPARD Q03181 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL31483415 0.82 PPARD (0.52) ALDH1A1TSHRPPARGPPARDSLC6A3
SCHEMBL31488009 0.78 PPARD (0.43) ALDH1A1PPARGPPARDSLC6A2SLC6A4
SCHEMBL13588396 0.78 ALDH1A1 (0.46) ALDH1A1TSHRPPARGEPHX2
SCHEMBL31483421 0.77 SMN1; SMN2 (0.47) ALDH1A1TSHRPPARGPPARDSLC6A2
SCHEMBL14874551 0.75 ALDH1A1 (0.57) ALDH1A1TSHRPPARGNPC1SMN1; SMN2
SCHEMBL4277095 0.75 PPARD (0.56) ALDH1A1TSHRPPARGPPARDNPC1
SCHEMBL74797 0.74 SLC6A2 (0.49) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL12250771 0.74 SLC6A2 (0.49) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL31488016 0.74 PTGES (0.47) ALDH1A1TSHRPPARGPPARDSLC6A3
SCHEMBL15118676 0.74 SLC6A2 (0.51) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3

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-109096420-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN disclosed