SCHEMBL9979614

SCHEMBL9979614

CCOC(=O)Cn1ccc2cc(OCCCCl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.51
▸ PPARG P37231 6/20 0.50
▸ PPARD Q03181 6/20 0.50
▸ PPARA Q07869 6/20 0.50
▸ PLA2G4A P47712 2/20 0.48
▸ BCL2 P10415 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL4464391 0.91 PPARG (0.50) MCL1PPARGPPARDPPARAPLA2G4A
SCHEMBL29138523 0.85 MTNR1A (0.56) MAPTKMT2A
SCHEMBL4478676 0.81 PPARD (0.56) MCL1PPARGPPARDPPARABCL2
SCHEMBL30395677 0.81 PPARD (0.56) MCL1PPARGPPARDPPARABCL2
SCHEMBL4467932 0.81 PPARG (0.45) MCL1PPARGPPARDPPARAPLA2G4A
SCHEMBL4468257 0.80 CA12 (0.48) MCL1PPARGPPARDPPARAPLA2G4A
SCHEMBL20037218 0.80 TDP1 (0.53) MAPTKMT2A
SCHEMBL2006435 0.80 MCL1 (0.45) MCL1PPARGPPARDPPARAPLA2G4A
SCHEMBL2156900 0.79 PLA2G2A (0.56) MCL1PPARGPPARDPPARABCL2
SCHEMBL2006433 0.78 MCL1 (0.43) MCL1PPARGPPARDPPARAPLA2G4A

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
Send feedback