SCHEMBL2462937

SCHEMBL2462937

O=C(O)C(O)=CC(=O)C1(C(Cc2ccc(Cl)cc2)C2CCCCC2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
POLB P06746 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
AVPR1A P37288 1/20 0.35
KCNH2 Q12809 1/20 0.35
MC4R P32245 5/20 0.33
MC3R P41968 2/20 0.33
MC5R P33032 1/20 0.33
KMT2A Q03164 1/20 0.33
MC1R Q01726 1/20 0.33
HRH1 P35367 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL2462083 0.71 ITGB1 (0.34) ITGB1SLC6A2SLC6A4SLC6A3
SCHEMBL2460474 0.65 OPRM1 (0.53) POLBKMT2A
SCHEMBL2460473 0.65 OPRM1 (0.53) POLBKMT2A
SCHEMBL4982285 0.64 CYP2C9 (0.55) EPHX1POLBBCL2L1MCL1NPC1
SCHEMBL19862763 0.64 NPC1 (0.38) EPHX1POLBBCL2L1MCL1KMT2A
SCHEMBL7659450 0.64 CPN1 (0.51) BCL2L1MCL1HRH1SLC6A2SLC6A4
SCHEMBL3516893 0.61 POLB (0.48) EPHX1POLBBCL2L1MCL1SLC6A2
SCHEMBL13391309 0.60 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL18897353 0.60 ALDH1A1 (0.39)
SCHEMBL8328007 0.59 HTR3A (0.41) KCNH2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547696-A2 FRAGMENTS OF THE PA SUBUNIT OF RNA DEPENDENT RNA POLYMERASE FROM PANDEMIC INFLUENZA VIRUS A 2009 H1N1, AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2013-01-23 EP claimed
WO-2011113579-A2 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2011-09-22 WO claimed
EP-2547696-A2 FRAGMENTS OF THE PA SUBUNIT OF RNA DEPENDENT RNA POLYMERASE FROM PANDEMIC INFLUENZA VIRUS A 2009 H1N1, AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2013-01-23 EP disclosed
WO-2011113579-A2 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2011-09-22 WO disclosed