SCHEMBL6087753

SCHEMBL6087753

CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.39
GRIN2B Q13224 5/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
TPH1 P17752 4/20 0.35
TPH2 Q8IWU9 4/20 0.35
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GRIA2 P42262 1/20 0.31
GRIN2A Q12879 1/20 0.31
LMNA P02545 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 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
SCHEMBL6087998 0.97 GRIN1 (0.39) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL2466620 0.95 GRIN1 (0.43) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7070522 0.89 GRIN1 (0.35) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7850609 0.87 GRIN1 (0.38) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL6086654 0.85 LMNA (0.36) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL6086617 0.83 GRIN1 (0.39) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7848078 0.82 GRIN1 (0.39) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7074091 0.81 GRIN1 (0.39) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL6088065 0.80 GRIN1 (0.38) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7066840 0.80 SMN1; SMN2 (0.30) SMN1; SMN2

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