SCHEMBL7837526

SCHEMBL7837526

COc1cccc(Cn2c(=O)[nH]c(Oc3cc(C)cc(C)c3)c(C(C)C)c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TSHR P16473 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MIF P14174 2/20 0.43
CMA1 P23946 1/20 0.43
POLB P06746 2/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
CD74 P04233 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40

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
SCHEMBL7848233 0.90 MTNR1A (0.39) MTNR1AMTNR1BHSD17B10ALDH1A1TSHR
SCHEMBL7846207 0.88 TLR7 (0.42) ALDH1A1TSHRKMT2AMEN1POLB
SCHEMBL7848800 0.87 KDM4E (0.34) MTNR1AMTNR1BHSD17B10ALDH1A1KMT2A
SCHEMBL7836586 0.84 HSD17B10 (0.51) MTNR1AMTNR1BHSD17B10ALDH1A1TSHR
SCHEMBL7844132 0.84 ALDH1A1 (0.37) MTNR1AMTNR1BHSD17B10ALDH1A1KMT2A
SCHEMBL6086447 0.83 MTNR1A (0.49) MTNR1AMTNR1BHSD17B10ALDH1A1TSHR
SCHEMBL7835808 0.82 GRIN1 (0.43) KMT2AMEN1GRIN1GRIN2BCYP1A2
SCHEMBL7843323 0.82 GRIN1 (0.36) MTNR1AMTNR1BALDH1A1KMT2AGRIN1
SCHEMBL7837651 0.82 MTNR1A (0.50) MTNR1AMTNR1BHSD17B10ALDH1A1TSHR
SCHEMBL7847168 0.81 MTNR1A (0.49) MTNR1AMTNR1BHSD17B10ALDH1A1KMT2A

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