SCHEMBL7529980

SCHEMBL7529980

COC(=O)CCc1cc(OCc2cc(OC)c(OCc3cc(OC)ccc3CCC(=O)OC)cc2CCC(=O)OC)c(OC)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MTNR1B P49286 8/20 0.42
MTNR1A P48039 7/20 0.42
HMGCR P04035 1/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7535383 0.90 MTNR1B (0.42) POLBMTNR1BMTNR1AHMGCRHSD17B10
SCHEMBL7533057 0.88 KMT2A (0.50) MTNR1BMTNR1A
SCHEMBL7529182 0.86 POLB (0.51) POLBMTNR1BMTNR1AHSD17B10
SCHEMBL7532128 0.84 MTNR1B (0.40) POLBMTNR1BMTNR1ARAB9A
SCHEMBL7530000 0.83 TNFSF11 (0.41) HMGCR
SCHEMBL7537430 0.83 TNFSF11 (0.41) HMGCR
SCHEMBL7530056 0.83 TNFSF11 (0.41) HMGCR
SCHEMBL5882460 0.82 PDE4D (0.52) HMGCR
SCHEMBL7535390 0.80 POLB (0.39) POLBMTNR1BMTNR1AHSD17B10
SCHEMBL7530956 0.80 HMGCR (0.40) POLBHMGCR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585371-B1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INTERNAT H (US) 2002-04-17 EP disclosed
US-5571506-A AROMATIC ALDEHYDE OLIGOMERS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, BONE METABOLISM, ANTILIPEMIC AGENTS AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-11-05 US disclosed
EP-0585371-A4 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INT (US) 1994-07-13 EP disclosed
EP-0585371-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-09 EP disclosed
WO-1992020350-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed