SCHEMBL7892508

SCHEMBL7892508

C=CC(=O)OCCCCOC(=O)C=Cc1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
POLB P06746 11/20 0.56
CACNA1B Q00975 2/20 0.56
APBA1 Q02410 2/20 0.56
TDP1 Q9NUW8 13/20 0.55
RECQL P46063 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
APEX1 P27695 2/20 0.53
CTDSP1 Q9GZU7 3/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
HCAR2 Q8TDS4 1/20 0.50
MEN1 O00255 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL7903344 0.94 L3MBTL1 (0.59) ALDH1A1L3MBTL1POLBCACNA1BAPBA1
SCHEMBL7136769 0.93 L3MBTL1 (0.63) ALDH1A1L3MBTL1POLBCACNA1BAPBA1
SCHEMBL7136767 0.93 L3MBTL1 (0.63) ALDH1A1L3MBTL1POLBCACNA1BAPBA1
SCHEMBL7142751 0.91 L3MBTL1 (0.62) ALDH1A1L3MBTL1POLBCACNA1BAPBA1
SCHEMBL7139011 0.91 L3MBTL1 (0.62) ALDH1A1L3MBTL1POLBCACNA1BAPBA1
SCHEMBL7142748 0.91 L3MBTL1 (0.62) ALDH1A1L3MBTL1POLBCACNA1BAPBA1
SCHEMBL7139015 0.91 L3MBTL1 (0.62) ALDH1A1L3MBTL1POLBCACNA1BAPBA1
SCHEMBL7588166 0.90 L3MBTL1 (0.63) ALDH1A1L3MBTL1POLBCACNA1BAPBA1
SCHEMBL7588159 0.90 L3MBTL1 (0.63) ALDH1A1L3MBTL1POLBCACNA1BAPBA1
SCHEMBL13738043 0.87 L3MBTL1 (0.58) ALDH1A1L3MBTL1POLBCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873367-B1 PROCESS OF PRODUCING GELS WITH THERMOTROPIC PROPERTIES BASF AG (DE) 2001-06-27 EP disclosed
EP-0678534-B1 Gels having thermotropic properties BASF AG (DE) 2000-06-28 EP disclosed