SCHEMBL13619764

SCHEMBL13619764

O=C(Cc1ccccc1)CC1C=CC=CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
CES1 P23141 2/20 0.40
CES2 O00748 1/20 0.40
AKR1B1 P15121 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.36
FAAH O00519 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35

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
SCHEMBL21851624 0.80 CTBP2 (0.42) SIGMAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL30028149 0.78 ALDH1A1 (0.45) SIGMAR1CES1L3MBTL1TDP1MEN1
SCHEMBL31621835 0.74 SIGMAR1 (0.48) SIGMAR1
SCHEMBL27704682 0.74 SIGMAR1 (0.48) SIGMAR1
SCHEMBL17311800 0.72 EPHX2 (0.50) SIGMAR1EPHX2MEN1KMT2AHDAC8
SCHEMBL1535652 0.71 SIGMAR1 (0.52) SIGMAR1
SCHEMBL12670826 0.71 HTR2C (0.45) SIGMAR1TDP1MEN1KMT2AMAPT
SCHEMBL10204064 0.71 CES2 (0.50) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL17948490 0.70 CES1 (0.41) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL19882763 0.69 CES2 (0.42) CES1CES2L3MBTL1MEN1KMT2A

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
WO-2009142314-A1 FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-11-26 WO disclosed