SCHEMBL7848233

SCHEMBL7848233

COc1cc(Cn2c(=O)[nH]c(Oc3cc(C)cc(C)c3)c(C(C)C)c2=O)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
NPBWR1 P48145 1/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
TSHR P16473 1/20 0.34
ROCK2 O75116 2/20 0.33
POLB P06746 1/20 0.32
MIF P14174 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7848800 0.92 KDM4E (0.34) MTNR1AMTNR1BKDM4EHSD17B10ALDH1A1
SCHEMBL7837526 0.90 MTNR1A (0.52) MTNR1AMTNR1BKDM4EHSD17B10ALDH1A1
SCHEMBL7843323 0.87 GRIN1 (0.36) MTNR1AMTNR1BKDM4EALDH1A1KMT2A
SCHEMBL7846207 0.86 TLR7 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7837064 0.83 HSD17B10 (0.39) MTNR1AMTNR1BKDM4EHSD17B10ALDH1A1
SCHEMBL6088314 0.82 MTNR1A (0.37) MTNR1AMTNR1BKDM4EALDH1A1MEN1
SCHEMBL7835808 0.81 GRIN1 (0.43) MEN1KMT2AGRIN1GRIN2B
SCHEMBL7845270 0.81 MTNR1A (0.38) MTNR1AMTNR1BKDM4EHSD17B10ALDH1A1
SCHEMBL7844132 0.80 ALDH1A1 (0.37) MTNR1AMTNR1BKDM4EHSD17B10ALDH1A1
SCHEMBL7848710 0.80 MTNR1A (0.37) MTNR1AMTNR1BKDM4EHSD17B10ALDH1A1

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