SCHEMBL7068420

SCHEMBL7068420

CC(C)c1c(Sc2ccccc2)n(CC2=CCC(CO)(CO)C2)c(=O)[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
CXCL8 P10145 1/20 0.30
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 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
SCHEMBL7070188 0.88
SCHEMBL7067905 0.85 GAA (0.32) LMNAPKM
SCHEMBL7070306 0.80 POLB (0.33) POLBHPGDCXCL8NOD2NOD1
SCHEMBL7068424 0.74 TDP1 (0.33) POLBHPGDCXCL8NOD2NOD1
SCHEMBL8760732 0.72 UPP1 (0.46) POLBHPGD
SCHEMBL2470154 0.72 HPGD (0.35) POLBHPGDLMNAPKMCXCL8
SCHEMBL6086605 0.70 HPGD (0.42) HPGDCXCL8NOD2NOD1
SCHEMBL7070966 0.67
SCHEMBL2470798 0.66 ALDH1A1 (0.32) HPGD
SCHEMBL7071341 0.66 MEN1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827498-B1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARM CO LTD (KR) 2003-06-18 EP disclosed
EP-0827498-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS Samjin Pharmaceutical Co., Ltd. (KR) 1998-03-11 EP disclosed
WO-1997030979-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1997-08-28 WO disclosed