SCHEMBL6087128

SCHEMBL6087128

Cc1cc(C)cc(Cn2c(Oc3cc(C)cc(C)c3)c(C(C)C)c(=O)[nH]c2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 1/20 0.34
HPGD P15428 5/20 0.33
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
PSMD14 O00487 1/20 0.32
TSHR P16473 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
DAO P14920 1/20 0.32
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL6088310 0.92 GRIN1 (0.36) TLR7KMT2AALDH1A1DAOGRIN1
SCHEMBL6086491 0.92 PDE5A (0.33) HPGDTLR7MEN1KMT2AKDM4E
SCHEMBL6087770 0.92 TYMS (0.37) HPGDTLR7MEN1KMT2ATSHR
SCHEMBL6088314 0.92 MTNR1A (0.37) HPGDMEN1KMT2AKDM4EHTT
SCHEMBL6086817 0.92 HPGD (0.43) HPGDTLR7MEN1KMT2AKDM4E
SCHEMBL501608 0.90 GRIN1 (0.33) TPH1TPH2HPGDTLR7MEN1
SCHEMBL6086296 0.89 TSHR (0.34) TPH1TPH2HPGDMEN1KMT2A
SCHEMBL6087068 0.88 DAO (0.46) HPGDTLR7MEN1KMT2AKDM4E
SCHEMBL12829055 0.87 MAOB (0.36) TPH1TPH2MEN1KMT2AKDM4E
SCHEMBL6086447 0.87 MTNR1A (0.49) HPGDMEN1KMT2ATSHRALDH1A1

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 1 patent. 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