SCHEMBL22986985

SCHEMBL22986985

CC(C)(C)COCc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
ACACB O00763 2/20 0.35
ALDH1A1 P00352 2/20 0.35
APP P05067 1/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PPARD Q03181 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ESR1 P03372 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL10202615 0.85 ALDH1A1 (0.44) ALDH1A1TSHRSLC6A4SLC6A3
SCHEMBL16085924 0.82 IDO1 (0.53) APPIDO1AGXTCA1CA2
SCHEMBL4743336 0.78 L3MBTL1 (0.36) PPARGPPARAACACBAPPIDO1
SCHEMBL24590308 0.78 AGXT (0.50) ALDH1A1IDO1AGXTCA1CA2
SCHEMBL23613252 0.78 ESR1 (0.56) ALDH1A1KDM4EPOLBESR1TSHR
SCHEMBL13303727 0.78 PPARG (0.39) PPARGPPARAACACBAPPIDO1
SCHEMBL5319540 0.77 ACACB (0.36) PPARGPPARAACACBAPPIDO1
SCHEMBL17518179 0.76 APP (0.49) APPIDO1
SCHEMBL20408398 0.76 APP (0.49) ALDH1A1APPTSHRLMNA
SCHEMBL10202640 0.76 IDO1 (0.48) ALDH1A1APPIDO1AGXTSLC6A2

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
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 US disclosed