SCHEMBL7848710

SCHEMBL7848710

COc1cc(Cn2c(=O)[nH]c(C(=O)c3cc(C)cc(C)c3)c(C(C)C)c2=O)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 3/20 0.35
BACE1 P56817 1/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7847168 0.91 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL7845907 0.85 MAPT (0.36) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL7846575 0.85 HPD (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7846764 0.84 HSD17B10 (0.37) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL6087598 0.83 MEN1 (0.37) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL7846719 0.81 TYMS (0.41) ALDH1A1KDM4E
SCHEMBL7848233 0.80 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL7837543 0.80 GRIN1 (0.43) MEN1KMT2APKM
SCHEMBL7847828 0.79 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL7836190 0.79 MAPT (0.36) ALDH1A1MAPTMEN1KMT2AHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed