SCHEMBL23285147

SCHEMBL23285147

CCCOC(=O)C1(N)CC(OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.40
BCHE P06276 3/20 0.39
EPHX2 P34913 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
DPP4 P27487 1/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADAM17 P78536 1/20 0.36

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
SCHEMBL15306513 0.90 ADAM17 (0.45) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL297404 0.90 ADAM17 (0.45) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL23274871 0.84 EPHX2 (0.44) ALDH1A1CYP3A4LMNAEPHX2OPRM1
SCHEMBL296907 0.81 GRM2 (0.47) ALDH1A1TDP1BCHEEPHX2OPRM1
SCHEMBL14409083 0.81 GRM2 (0.47) ALDH1A1TDP1BCHEEPHX2OPRM1
SCHEMBL871442 0.76 ADAM17 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPK1
Ethoxycarbonyl Group SCHEMBL27936134 0.75 EPHX2 (0.36) L3MBTL1BCHEEPHX2OPRM1OPRL1
SCHEMBL15927866 0.75 ADAM17 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL8050802 0.74 ADAM17 (0.43) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL12277199 0.74 LMNA (0.46) ALDH1A1TDP1CYP3A4TSHRMAPK1

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-2021081272-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2021-04-29 WO disclosed