SCHEMBL9979668

SCHEMBL9979668

CCOC(=O)Cc1coc2cc(/C=C/c3cccc4c3CN(c3ccc(C)cc3)C4=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 10/20 0.41
TSHR P16473 5/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9979624 0.92 PPARD (0.38) POLBMEN1KMT2AGAAMAPT
SCHEMBL9979625 0.91 MAPT (0.47) POLBMEN1KMT2AMAPTTSHR
SCHEMBL9979703 0.90 L3MBTL1 (0.36) POLBMEN1KMT2AGAAMAPT
SCHEMBL9979584 0.83 POLB (0.44) POLBMEN1KMT2AGAAMAPT
SCHEMBL9979617 0.81 PPARD (0.46) MAPTSMN1; SMN2ALOX15TP53
SCHEMBL9979660 0.80 PPARD (0.41) MAPTSMN1; SMN2HTTALOX15
SCHEMBL9979520 0.77 PPARD (0.43) POLBMEN1KMT2AGAAMAPT
SCHEMBL9979673 0.76 RAB9A (0.36) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL9979510 0.76 PPARD (0.53) POLBMEN1KMT2AGAAMAPT
SCHEMBL9979618 0.76 PPARD (0.44) POLBMEN1KMT2AGAAMAPT

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