SCHEMBL9979589

SCHEMBL9979589

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
PPARA Q07869 5/20 0.42
PPARD Q03181 5/20 0.42
FFAR1 O14842 3/20 0.40
CD274 Q9NZQ7 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
SCN3A Q9NY46 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PPARG P37231 2/20 0.36
UGCG Q16739 2/20 0.35
BRD4 O60885 1/20 0.35
PTGER4 P35408 1/20 0.34

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
SCHEMBL9979485 0.96 PPARD (0.47) CYP11B1CYP11B2PPARAPPARDFFAR1
SCHEMBL9979638 0.96 PPARD (0.47) CYP11B1CYP11B2PPARAPPARDFFAR1
SCHEMBL9979705 0.93 PPARD (0.42) CYP11B1CYP11B2PPARAPPARDFFAR1
SCHEMBL9979519 0.92 FFAR1 (0.43) CYP11B1CYP11B2PPARAPPARDFFAR1
SCHEMBL9979670 0.90 PPARD (0.53) PPARAPPARDFFAR1MAOAMAOB
SCHEMBL9979507 0.88 PPARD (0.47) CYP11B1CYP11B2PPARAPPARDFFAR1
SCHEMBL9979501 0.88 PPARD (0.47) CYP11B1CYP11B2PPARAPPARDFFAR1
SCHEMBL9979690 0.87 PPARD (0.43) PPARAPPARDFFAR1CD274PPARG
SCHEMBL9979572 0.87 PPARD (0.43) PPARAPPARDFFAR1CD274PPARG
SCHEMBL9979512 0.86 PPARD (0.41) PPARAPPARDFFAR1CD274PPARG

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