SCHEMBL7093752

SCHEMBL7093752

C=CCC1(C(=O)O)CCN(C(=O)O)CC1O

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TET3 O43151 1/20 0.30
KMT2A Q03164 1/20 0.30
FBXL19 Q6PCT2 1/20 0.30
CXXC5 Q7LFL8 1/20 0.30
TET1 Q8NFU7 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
CXXC4 Q9H2H0 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL31663368 0.80 NAMPT (0.31)
SCHEMBL5766997 0.78
SCHEMBL17763731 0.69 TET3 (0.30) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL18446067 0.68 TET3 (0.32) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL5186884 0.68 TET3 (0.33) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL5766992 0.68 MEN1 (0.34) KMT2A
SCHEMBL13276144 0.67 TET3 (0.31) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL6097168 0.67 TET3 (0.33) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL17239284 0.66 SCN9A (0.33) KMT2A
SCHEMBL15882153 0.66 SCN9A (0.33) KMT2A

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-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed