SCHEMBL3227535

SCHEMBL3227535

OC(O)C(I)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DPP4 P27487 2/20 0.39

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
SCHEMBL11721312 0.82 DPP4 (0.47) LMNAMAPK1TSHRCYP2D6SRC
SCHEMBL13070538 0.81 LMNA (0.50) LMNAMAPK1TSHRKDM4EADRA2A
SCHEMBL23337668 0.81 LMNA (0.50) LMNAMAPK1TSHRKDM4EADRA2A
SCHEMBL26067052 0.77
SCHEMBL2336389 0.77
SCHEMBL9023354 0.72 TAAR1 (0.42) LMNATSHRKDM4EADRA2AADRA2C
SCHEMBL19984820 0.72 LMNA (0.44) LMNAMAPK1TSHRKDM4EL3MBTL1
SCHEMBL4608564 0.72 LMNA (0.52) LMNAMAPK1TSHRKDM4EADRA2A
SCHEMBL807041 0.72 TAAR1 (0.44) LMNATSHRKDM4EADRA2AADRA2C
SCHEMBL2043473 0.71

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-2010012812-A1 BENZAZEPINES AND BENZAZOCINES AS SIGMA-RECEPTOR LIGANDES Westfälische Wilhelms Universität Münster (DE) 2010-02-04 WO disclosed