SCHEMBL9979705

SCHEMBL9979705

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.42
PPARA Q07869 5/20 0.42
FFAR1 O14842 3/20 0.40
PPARG P37231 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
CD274 Q9NZQ7 1/20 0.37
SCN3A Q9NY46 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL9979507 0.96 PPARD (0.47) PPARDPPARAFFAR1PPARGCYP11B1
SCHEMBL9979501 0.96 PPARD (0.47) PPARDPPARAFFAR1PPARGCYP11B1
SCHEMBL9979589 0.93 CYP11B1 (0.44) PPARDPPARAFFAR1PPARGCYP11B1
SCHEMBL9979519 0.92 FFAR1 (0.43) PPARDPPARAFFAR1PPARGCYP11B1
SCHEMBL9979521 0.90 PPARD (0.53) PPARDPPARAFFAR1PPARGTRPV1
SCHEMBL9979485 0.88 PPARD (0.47) PPARDPPARAFFAR1PPARGCYP11B1
SCHEMBL9979638 0.88 PPARD (0.47) PPARDPPARAFFAR1PPARGCYP11B1
SCHEMBL9979690 0.87 PPARD (0.43) PPARDPPARAFFAR1PPARGCD274
SCHEMBL9979572 0.87 PPARD (0.43) PPARDPPARAFFAR1PPARGCD274
SCHEMBL9979512 0.86 PPARD (0.41) PPARDPPARAFFAR1PPARGCD274

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