SCHEMBL9979519

SCHEMBL9979519

CCOC(=O)CC1CCCc2cc(OCc3cccc4c3CN(c3ccc(C)cc3)C4=O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
CD274 Q9NZQ7 2/20 0.39
PPARD Q03181 7/20 0.38
PPARA Q07869 3/20 0.37
PPARG P37231 2/20 0.37
AOC3 Q16853 1/20 0.37
SCN3A Q9NY46 1/20 0.37
CASP3 P42574 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGER4 P35408 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9979690 0.95 PPARD (0.43) FFAR1CD274PPARDPPARAPPARG
SCHEMBL9979572 0.95 PPARD (0.43) FFAR1CD274PPARDPPARAPPARG
SCHEMBL9979705 0.92 PPARD (0.42) FFAR1CD274PPARDPPARAPPARG
SCHEMBL9979589 0.92 CYP11B1 (0.44) FFAR1CD274PPARDPPARAPPARG
SCHEMBL9979511 0.91 FFAR1 (0.52) FFAR1CD274PPARDPPARAPPARG
SCHEMBL9979512 0.89 PPARD (0.41) FFAR1CD274PPARDPPARAPPARG
SCHEMBL9979502 0.89 PPARD (0.41) FFAR1CD274PPARDPPARAPPARG
SCHEMBL9979507 0.87 PPARD (0.47) FFAR1CD274PPARDPPARAPPARG
SCHEMBL9979638 0.87 PPARD (0.47) FFAR1PPARDPPARAPPARGCYP11B1
SCHEMBL9979485 0.87 PPARD (0.47) FFAR1PPARDPPARAPPARGCYP11B1

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
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed