SCHEMBL2194342

SCHEMBL2194342

C[C@@]1(CO)C(Cc2ccccc2)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK14 Q16539 1/20 0.39
TACR3 P29371 1/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL30579512 0.75 TACR3 (0.38) KMT2AMEN1GAACYP2C9CYP2C19
SCHEMBL1642227 0.74 ALDH1A1 (0.39) ALDH1A1TMEM97SIGMAR1KMT2AMEN1
SCHEMBL9554965 0.70 TMEM97 (0.41) ALDH1A1TMEM97SIGMAR1
SCHEMBL5888790 0.68 GAA (0.39) KMT2AMEN1GAACYP2C9CYP2C19
SCHEMBL1189580 0.67 LMNA (0.41) ALDH1A1TMEM97SIGMAR1KMT2AMEN1
SCHEMBL1189315 0.67 LMNA (0.41) ALDH1A1TMEM97SIGMAR1KMT2AMEN1
SCHEMBL1190461 0.67 LMNA (0.41) ALDH1A1TMEM97SIGMAR1KMT2AMEN1
SCHEMBL1190560 0.67 LMNA (0.41) ALDH1A1TMEM97SIGMAR1KMT2AMEN1
SCHEMBL5927756 0.65 GAA (0.39) ALDH1A1TMEM97SIGMAR1GAACYP2C9
SCHEMBL5927757 0.65 GAA (0.39) ALDH1A1TMEM97SIGMAR1GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed