SCHEMBL8348269

SCHEMBL8348269

CCOC(=O)C[C@@]1(C[N+](=O)[O-])C[C@H]2CCCC[C@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 7/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
KCNH2 Q12809 1/20 0.30
GRIN2B Q13224 1/20 0.30
TRPA1 O75762 1/20 0.30
THRB P10828 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL14559586 1.00 KMT2A (0.35) KMT2AALDH1A1MAPTCYP2D6L3MBTL1
SCHEMBL8347235 1.00 KMT2A (0.35) KMT2AALDH1A1MAPTCYP2D6L3MBTL1
SCHEMBL14599665 0.97 ALDH1A1 (0.33) KMT2AALDH1A1MAPTL3MBTL1MGAM
SCHEMBL14559592 0.97 ALDH1A1 (0.33) KMT2AALDH1A1MAPTL3MBTL1MGAM
SCHEMBL14559595 0.97 ALDH1A1 (0.33) KMT2AALDH1A1MAPTL3MBTL1MGAM
SCHEMBL8345214 0.94 KMT2A (0.33) KMT2AALDH1A1MAPTL3MBTL1MGAM
SCHEMBL14559623 0.94 KMT2A (0.33) KMT2AALDH1A1MAPTL3MBTL1MGAM
SCHEMBL5080768 0.84 MGAM (0.34) KMT2AALDH1A1L3MBTL1MGAMGAA
SCHEMBL5690613 0.84 MGAM (0.34) KMT2AALDH1A1L3MBTL1MGAMGAA
SCHEMBL5077870 0.84 MGAM (0.34) KMT2AALDH1A1L3MBTL1MGAMGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed