SCHEMBL9979560

SCHEMBL9979560

COC(=O)CC(=O)CSc1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 4/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APEX1 P27695 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8147162 0.89 LMNA (0.54) LMNAMAPTGAAKDM4EGLA
SCHEMBL15211675 0.84 HSP90AB1 (0.49) LMNAMAPTGAAKDM4EGLA
SCHEMBL9366094 0.84 MAPT (0.45) LMNAMAPTGAAKDM4EGLA
SCHEMBL5640191 0.84 MTNR1A (0.57) LMNAMAPTCYP1A2CYP2C19MEN1
SCHEMBL7492024 0.82 FFAR1 (0.55) LMNAMAPTKDM4ECYP1A2CYP3A4
SCHEMBL9365812 0.79 ANPEP (0.59) LMNAMAPTGAAKDM4EGLA
SCHEMBL21102371 0.76 APEX1 (0.42) LMNAMAPTGAAKDM4EGLA
SCHEMBL17045899 0.75 HDAC1 (0.47) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL4551576 0.75 APEX1 (0.66) LMNAMAPTGAAKDM4ECYP1A2
SCHEMBL9361264 0.75 MAPT (0.53) LMNAMAPTGAAKDM4EGLA

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