SCHEMBL27644201

SCHEMBL27644201

CCC(Cc1c(C)cc(C)cc1C)CC(C)(N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR3C1 P04150 4/20 0.35
BLM P54132 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.34
FYN P06241 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
ADRA1A P35348 1/20 0.34
PTGS2 P35354 1/20 0.34
MTOR P42345 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
SCHEMBL28758241 0.87 KDM4E (0.37) KDM4EL3MBTL1BLMALDH1A1MEN1
SCHEMBL27665338 0.86 KDM4E (0.36) KDM4EL3MBTL1BLMALDH1A1MEN1
SCHEMBL27665799 0.86 BLM (0.33) KDM4EBLMALDH1A1MEN1USP2
SCHEMBL27643944 0.85 BLM (0.34) KDM4EL3MBTL1BLMALDH1A1MEN1
SCHEMBL27665657 0.85 NR3C1 (0.37) KDM4EL3MBTL1NR3C1BLMALDH1A1
SCHEMBL27644274 0.85 KDM4E (0.43) KDM4EL3MBTL1NR3C1BLMALDH1A1
SCHEMBL27644713 0.84 KDM4E (0.40) KDM4EL3MBTL1BLMALDH1A1MEN1
SCHEMBL27665669 0.84 BLM (0.41) KDM4EL3MBTL1NR3C1BLMALDH1A1
SCHEMBL27643957 0.82 NR3C1 (0.43) KDM4EL3MBTL1NR3C1BLMALDH1A1
SCHEMBL27644798 0.81 BLM (0.36) KDM4EBLMALDH1A1MEN1USP2

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
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN claimed
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN disclosed