SCHEMBL725392

SCHEMBL725392

CCOC1(C(=O)Cc2ccccc2)C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
AKR1B1 P15121 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.33
ALOX5 P09917 1/20 0.33
PPID Q08752 1/20 0.33
PAM P19021 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL11483745 0.78
SCHEMBL1974877 0.74 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1TSHRNPC1
SCHEMBL10456255 0.74 CES1 (0.41) ALDH1A1MAPK1L3MBTL1CES2CES1
SCHEMBL31454952 0.69 MGLL (0.41) MEN1KMT2A
SCHEMBL28628313 0.69
SCHEMBL28539239 0.68 MEN1 (0.41) ALDH1A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL9348319 0.68 CYP2C9 (0.37) ALDH1A1MAPK1L3MBTL1SMN1; SMN2CES2
SCHEMBL7116525 0.68 LMNA (0.33) ALDH1A1MAPK1L3MBTL1SMN1; SMN2CES1
SCHEMBL23270716 0.67 TSHR (0.38) ALDH1A1MAPK1L3MBTL1SMN1; SMN2CES2
SCHEMBL11589741 0.65 MTNR1A (0.33) ALDH1A1L3MBTL1CES2CES1MAPT

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-2588220-A1 MATERIAL INCLUDING GRAFTED NANOTUBES OR NANOWIRES IN A MATRIX, METHOD FOR PREPARING SAME AND USES THEREOF Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2013-05-08 EP disclosed
WO-2012001177-A1 MATERIAL INCLUDING GRAFTED NANOTUBES OR NANOWIRES IN A MATRIX, METHOD FOR PREPARING SAME AND USES THEREOF Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2012-01-05 WO disclosed