SCHEMBL8345214

SCHEMBL8345214

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
EPHX2 P34913 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TRPA1 O75762 1/20 0.32
MAPT P10636 2/20 0.31
MITF O75030 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14559623 1.00 KMT2A (0.33) KMT2AEPHX2MGAMGAASI
SCHEMBL14559586 0.94 KMT2A (0.35) KMT2AMGAMGAASIMGAM2
SCHEMBL8347235 0.94 KMT2A (0.35) KMT2AMGAMGAASIMGAM2
SCHEMBL8348269 0.94 KMT2A (0.35) KMT2AMGAMGAASIMGAM2
SCHEMBL14559595 0.94 ALDH1A1 (0.33) KMT2AMGAMGAASIMGAM2
SCHEMBL14559592 0.94 ALDH1A1 (0.33) KMT2AMGAMGAASIMGAM2
SCHEMBL14599665 0.94 ALDH1A1 (0.33) KMT2AMGAMGAASIMGAM2
SCHEMBL5690613 0.86 MGAM (0.34) KMT2AMGAMGAASIMGAM2
SCHEMBL5080768 0.86 MGAM (0.34) KMT2AMGAMGAASIMGAM2
SCHEMBL5077870 0.86 MGAM (0.34) KMT2AMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506955-B1 Bicyclic amino acids as pharmaceuticals agents WARNER LAMBERT CO (US) 2007-03-28 EP disclosed
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