SCHEMBL2668601

SCHEMBL2668601

COC(C)(C)CCN[C@H]1CC[C@H](C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 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
SCHEMBL16371125 0.83 KDM4E (0.40) ALDH1A1MEN1GAAKMT2ATSHR
SCHEMBL18683176 0.81 GNAI3 (0.47) ALDH1A1L3MBTL1MEN1LMNAGAA
SCHEMBL18479700 0.75 IRAK4 (0.41) ALDH1A1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL24429365 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRTAS1R3TAS1R1
SCHEMBL15384122 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRTAS1R3TAS1R1
SCHEMBL13450092 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRTAS1R3TAS1R1
SCHEMBL2668490 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1LMNAGAA
SCHEMBL803995 0.71 GNAI3 (0.36) ALDH1A1L3MBTL1MEN1LMNAGAA
SCHEMBL2668565 0.70 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL12137240 0.69 ALDH1A1 (0.44) ALDH1A1LMNAGAATSHRTAS1R3

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