SCHEMBL8537347

SCHEMBL8537347

CC(=COC(=O)OCCOCCOC(=O)OC=C(C)Cc1ccccc1C(C)(C)C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 3/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
ESRRB O95718 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR1H4 Q96RI1 3/20 0.34
RAB9A P51151 2/20 0.33
NLRP3 Q96P20 1/20 0.33
NPC1 O15118 1/20 0.33
EPHX2 P34913 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 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
SCHEMBL8537345 1.00 ESRRG (0.36) ESRRGALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7607103 0.89 ESRRG (0.39) ESRRGLMNASMN1; SMN2MAPTESRRB
SCHEMBL7607097 0.89 ESRRG (0.39) ESRRGLMNASMN1; SMN2MAPTESRRB
SCHEMBL7605705 0.78 ALDH1A1 (0.46) ESRRGALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7605707 0.78 ALDH1A1 (0.46) ESRRGALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7607896 0.78 SMN1; SMN2 (0.39) LMNASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL7607903 0.78 SMN1; SMN2 (0.39) LMNASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL5186509 0.73 SMN1; SMN2 (0.43) ESRRGALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5494077 0.73 SMN1; SMN2 (0.43) ESRRGALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5186521 0.73 SMN1; SMN2 (0.43) ESRRGALDH1A1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887335-A1 Precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 EP disclosed