SCHEMBL6086495

SCHEMBL6086495

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CO2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.35
SLC6A2 P23975 1/20 0.35
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
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
SCHEMBL7850932 0.92 ALDH1A1 (0.34) LMNAMAOASLC6A2ALDH1A1TP53
SCHEMBL6088530 0.87 GRIN1 (0.42) LMNAMAOASLC6A2ALDH1A1SMN1; SMN2
SCHEMBL7066800 0.86 GRIN1 (0.35) LMNAMAOASLC6A2ALDH1A1SMN1; SMN2
SCHEMBL7074091 0.85 GRIN1 (0.39) ALDH1A1SMN1; SMN2GRIN1GRIN2B
SCHEMBL6086617 0.85 GRIN1 (0.39) LMNAMAOASLC6A2ALDH1A1SMN1; SMN2
SCHEMBL6088065 0.84 GRIN1 (0.38) ALDH1A1SMN1; SMN2GRIN1GRIN2B
SCHEMBL12829055 0.83 MAOB (0.36) LMNAALDH1A1SMN1; SMN2
SCHEMBL6086654 0.83 LMNA (0.36) LMNAMAOASLC6A2ALDH1A1NPSR1
SCHEMBL7844254 0.82 LMNA (0.33) LMNAMAOASLC6A2TP53HBB
SCHEMBL6087128 0.81 TPH1 (0.34) ALDH1A1TP53SMN1; SMN2GRIN1GRIN2B

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