SCHEMBL29655421

SCHEMBL29655421

CC(C)(C)OC(=O)N1CC(N(CCCO)CCCO)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.37
USP30 Q70CQ3 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
HPGD P15428 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL23361548 0.87 NR1H2 (0.49) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL22989452 0.84 NR1H2 (0.49) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL17910144 0.83 NR1H2 (0.46) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL29655261 0.82 NR1H2 (0.48) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL24161826 0.81 NR1H2 (0.51) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL16993007 0.80 NR1H2 (0.51) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL22989712 0.79 NR1H2 (0.44) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL2902745 0.78 NR1H2 (0.49) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL71277 0.77 NR1H2 (0.51) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL7401533 0.76 NR1H2 (0.58) NR1H2USP2SMN1; SMN2NAMPTMEN1

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-4058457-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS Ildong Pharmaceutical Co., Ltd. (KR) 2022-09-21 EP disclosed
WO-2022096930-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-05-12 WO disclosed