SCHEMBL6086149

SCHEMBL6086149

COc1cc(Cn2c(Sc3cc(C)cc(C)c3)c(C(C)C)c(=O)[nH]c2=O)cc(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33

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
SCHEMBL6086384 0.91 MTNR1A (0.47) MTNR1AMTNR1BADORA3ALDH1A1MAPT
SCHEMBL6086546 0.90 TPH1 (0.34) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6086367 0.85 TYMS (0.37) MAPTHPGDMAPK1TSHR
SCHEMBL6085643 0.85 GRIN1 (0.36) ALDH1A1KMT2ASMN1; SMN2GRIN1GRIN2B
SCHEMBL6087279 0.85 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6086605 0.84 HPGD (0.42) ADORA3ALDH1A1MAPTMEN1KMT2A
SCHEMBL6088018 0.84 MTNR1A (0.36) MTNR1AMTNR1BADORA3ALDH1A1MAPT
SCHEMBL7845270 0.83 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1MAPTMEN1
SCHEMBL6085665 0.82 TSHR (0.34) MAPTMEN1KMT2AHPGDTP53
SCHEMBL6086282 0.82 DAO (0.45) ADORA3ALDH1A1MAPTMEN1KMT2A

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