SCHEMBL9979673

SCHEMBL9979673

CCOC(=O)CC1CCc2cc(/C=C/c3cccc4c3CN(c3ccc(C)cc3)C4=O)ccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
HSD17B1 P14061 1/20 0.35
CASP3 P42574 2/20 0.35
PPARD Q03181 4/20 0.34
UGCG Q16739 2/20 0.34
PPARA Q07869 4/20 0.34
PPARG P37231 3/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1H3 Q13133 1/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL9979646 0.92 CYP11B1 (0.40) HSD17B1PPARDUGCGPPARAPPARG
SCHEMBL9979579 0.91 PPARD (0.41) RAB9ANPC1PKMPPARDPPARA
SCHEMBL9979609 0.90 PPARA (0.41) HSD17B1PPARDPPARAPPARGCYP11B1
SCHEMBL9979570 0.82 ALDH1A1 (0.38) RAB9AMEN1KMT2ANPC1PKM
SCHEMBL9979690 0.82 PPARD (0.43) PPARDPPARAPPARGAOC3
SCHEMBL9979572 0.82 PPARD (0.43) PPARDPPARAPPARGAOC3
SCHEMBL9979499 0.81 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL9979674 0.81 PPARD (0.47) PPARDUGCGPPARAPPARGNR1H3
SCHEMBL9979498 0.80 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL9979567 0.80 PPARD (0.53) PPARDPPARA

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