SCHEMBL2585434

SCHEMBL2585434

CCOC(=O)Cc1cccc(-c2cc(C(=O)CCCCC(=O)c3ccc(OC)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL8201339 0.94 THRA (0.43) CTNNB1WNT3ATHRATHRBRECQL
SCHEMBL2587585 0.82 SELP (0.47) RECQLNPC1RAB9ASMN1; SMN2PKM
SCHEMBL27917457 0.82 SLC6A4 (0.38) RECQLNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2592720 0.81 HTR7 (0.56) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL8710187 0.80 PPARA (0.52)
SCHEMBL8205873 0.78 PPARA (0.44) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL8339408 0.76 HTR7 (0.41) RECQLNPC1RAB9ASMN1; SMN2PKM
SCHEMBL8193447 0.76 P4HB (0.43) KDM4EMEN1KMT2A
SCHEMBL8193444 0.76 P4HB (0.43) KDM4EMEN1KMT2A
SCHEMBL8333162 0.75 PTPN11 (0.46) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566580-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE Revotar Biopharmaceuticals AG (DE) 2013-03-13 EP claimed
WO-2011138365-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-10 WO claimed
CN-103002951-A Process for the preparation of new compound REVOTAR BIOPHARMACEUTICALS AG 2013-03-27 CN disclosed
EP-2566580-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE Revotar Biopharmaceuticals AG (DE) 2013-03-13 EP disclosed
EP-2566580-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE Revotar Biopharmaceuticals AG (DE) 2013-03-13 EP disclosed
WO-2011138365-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-10 WO disclosed
WO-2011138365-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-10 WO disclosed