SCHEMBL9979570

SCHEMBL9979570

CCOC(=O)CC1CCc2cc(CCc3cccc4c3CN(c3ccc(C)cc3)C4=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
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
PPARA Q07869 7/20 0.36
PPARG P37231 6/20 0.36
HSD17B1 P14061 1/20 0.35
CASP3 P42574 2/20 0.35
PPARD Q03181 5/20 0.34
UGCG Q16739 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL9979691 0.92 CYP11B1 (0.40) ALDH1A1GAAPPARAPPARGHSD17B1
SCHEMBL9979694 0.90 PPARA (0.41) ALDH1A1GAAPPARAPPARGPPARD
SCHEMBL9979575 0.90 PPARA (0.42) RAB9ANPC1PKMPPARAPPARG
SCHEMBL9979690 0.86 PPARD (0.43) PPARAPPARGPPARD
SCHEMBL9979572 0.86 PPARD (0.43) PPARAPPARGPPARD
SCHEMBL9979673 0.82 RAB9A (0.36) RAB9AMEN1KMT2ANPC1PKM
SCHEMBL9979519 0.82 FFAR1 (0.43) RAB9AMEN1KMT2APPARAPPARG
SCHEMBL9979499 0.81 PPARD (0.49) PPARAPPARGPPARD
SCHEMBL9979502 0.80 PPARD (0.41) PPARAPPARGHSD17B1PPARD
SCHEMBL9979512 0.80 PPARD (0.41) PPARAPPARGCASP3PPARD

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