SCHEMBL6087425

SCHEMBL6087425

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.45
GRM2 Q14416 1/20 0.38
GRIN2B Q13224 1/20 0.37
P2RX3 P56373 2/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CHRM5 P08912 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
DAO P14920 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6086817 0.86 HPGD (0.43) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL6087128 0.85 TPH1 (0.34) GRIN2BALDH1A1TSHRMEN1MAPT
SCHEMBL6086972 0.85 TYMS (0.46) TYMSGRM2GRIN2BHCRTR1HCRTR2
SCHEMBL6086296 0.84 TSHR (0.34) GRIN2BALDH1A1TSHRMEN1MAPT
SCHEMBL6087068 0.82 DAO (0.46) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL6086749 0.82 TYMS (0.43) TYMSGRM2GRIN2BP2RX3HCRTR1
SCHEMBL6086491 0.82 PDE5A (0.33) P2RX3ALDH1A1TSHRMEN1MAPT
SCHEMBL6088310 0.82 GRIN1 (0.36) GRIN2BALDH1A1KMT2ADAO
SCHEMBL6087976 0.82 TYMS (0.43) TYMSGRIN2BP2RX3HCRTR1HCRTR2
SCHEMBL501608 0.81 GRIN1 (0.33) GRIN2BP2RX3ALDH1A1TSHRMEN1

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