SCHEMBL8925722

SCHEMBL8925722

CCOCOc1c(C)c(C)c2c(c1C)CCC(C)(CCCc1ccc(OC(C)(C)C(=O)O)cc1)O2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.44
PPARA Q07869 5/20 0.41
PPARG P37231 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
GSTO1 P78417 2/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARD Q03181 1/20 0.38

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
SCHEMBL8925726 1.00 PSEN1 (0.44) PSEN1PPARAPPARGMEN1KMT2A
SCHEMBL8767474 0.85 ALOX5 (0.51) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL8767480 0.85 ALOX5 (0.51) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL8768724 0.82 ALOX5 (0.49) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL8768719 0.82 ALOX5 (0.49) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL8923653 0.81 PSEN1 (0.38) PSEN1PPARAPPARGMEN1KMT2A
SCHEMBL8923656 0.81 PSEN1 (0.38) PSEN1PPARAPPARGMEN1KMT2A
SCHEMBL8923654 0.81 PSEN1 (0.38) PSEN1PPARAPPARGMEN1KMT2A
SCHEMBL8039151 0.74 PSEN1 (0.42) PSEN1PPARAMEN1KMT2APDE4A
SCHEMBL9075355 0.73 MEN1 (0.42) PSEN1MEN1KMT2APDE4APDE3A

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-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed