SCHEMBL2668490

SCHEMBL2668490

CC(C)(C)OCCN[C@H]1CC[C@H](C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.30
RECQL P46063 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
SCHEMBL10160339 0.92 KDM4E (0.37) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL1709037 0.84 KDM4E (0.46) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL12788319 0.84 KDM4E (0.42) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL24429365 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL13450092 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL15384122 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL2668499 0.74 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL24960536 0.74 FUCA1 (0.35) ALDH1A1
SCHEMBL9911384 0.73 ALDH1A1 (0.37) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL2668502 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19

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-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed