SCHEMBL13479230

SCHEMBL13479230

O=C[C@@H]1CCCC[C@@H]1COC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49
PPM1B O75688 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CES2 O00748 1/20 0.43
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL21458051 0.91 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL23688029 0.91 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL19284970 0.91 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL22230562 0.91 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL21306551 0.82 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL29820048 0.82 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL7909093 0.81 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL8885874 0.81 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
Methyl Benzoate SCHEMBL27875044 0.79 TSHR (0.47) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL22005207 0.78 CARM1 (0.58) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A

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
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed