SCHEMBL6086296

SCHEMBL6086296

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DAO P14920 1/20 0.32
MAOB P27338 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLAT P00750 1/20 0.30

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
SCHEMBL6087128 0.89 TPH1 (0.34) TSHRHPGDGRIN1GRIN2BDAO
SCHEMBL6088310 0.86 GRIN1 (0.36) GRIN1GRIN2BDAOKMT2AALDH1A1
SCHEMBL6087627 0.84 TSHR (0.34) TSHRHPGDHSD17B10GRIN1GRIN2B
SCHEMBL501608 0.84 GRIN1 (0.33) TSHRHPGDHSD17B10GRIN1GRIN2B
SCHEMBL6086491 0.84 PDE5A (0.33) TSHRHPGDMAPTMEN1KMT2A
SCHEMBL6088314 0.84 MTNR1A (0.37) HPGDGRIN1GRIN2BDAOMAPT
SCHEMBL6087770 0.84 TYMS (0.37) TSHRHPGDMAPTMEN1KMT2A
SCHEMBL6087425 0.84 TYMS (0.45) TSHRHPGDHSD17B10GRIN2BDAO
SCHEMBL6086817 0.84 HPGD (0.43) TSHRHPGDHSD17B10MAPTMEN1
SCHEMBL10204281 0.80 TLR7 (0.35) TSHRHPGDHSD17B10GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed
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