SCHEMBL11262300

SCHEMBL11262300

CCOC(=O)C(C)(C)Oc1ccc2c(c1)c(CCc1ccccc1)c(C)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.49
PPARA Q07869 4/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PLA2G4A P47712 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABCB11 O95342 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
PLA2G2A P14555 3/20 0.43
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PPARD Q03181 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
SCHEMBL11261340 0.89 PPARG (0.53) PPARGPPARAMEN1KMT2APLA2G4A
SCHEMBL11252774 0.89 PLA2G2A (0.49) PPARGPPARAMEN1KMT2ACYP1A2
SCHEMBL11290711 0.83 PPARA (0.47) PPARGPPARAKMT2ACYP1A2CYP3A4
SCHEMBL11257489 0.81 PLA2G2A (0.47) PPARGPPARAMEN1KMT2ACYP1A2
SCHEMBL11260099 0.80 PPARG (0.47) PPARGPPARAMEN1KMT2ACYP1A2
SCHEMBL11258391 0.80 PPARA (0.53) PPARGPPARAMEN1KMT2ACYP1A2
SCHEMBL11257449 0.80 PLA2G2A (0.52) PPARGPPARAMEN1KMT2APLA2G2A
SCHEMBL11264502 0.78 PPARA (0.44) PPARGPPARAKMT2ACYP1A2CYP3A4
SCHEMBL11263047 0.78 PPARA (0.46) PPARGPPARAKMT2ACYP1A2CYP3A4
SCHEMBL11267723 0.77 PPARA (0.45) PPARGPPARAKMT2ACYP1A2CYP3A4

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-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed