SCHEMBL2668565

SCHEMBL2668565

COC(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
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
KDM4E B2RXH2 2/20 0.30
SMYD3 Q9H7B4 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 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
SCHEMBL1241744 0.80 SMYD3 (0.41) ALDH1A1TSHRKDM4ESMYD3MAPK1
SCHEMBL12204173 0.80 SMYD3 (0.41) ALDH1A1TSHRKDM4ESMYD3MAPK1
SCHEMBL15384122 0.72 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1TAS1R3TAS1R1
SCHEMBL24429365 0.72 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1TAS1R3TAS1R1
SCHEMBL13450092 0.72 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1TAS1R3TAS1R1
SCHEMBL2668502 0.72 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EMAPK1POLB
SCHEMBL5259671 0.71
SCHEMBL12801234 0.71 MEN1 (0.38) ALDH1A1TSHRL3MBTL1KDM4EMEN1
SCHEMBL4668397 0.71
SCHEMBL2668601 0.70 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1TAS1R3TAS1R1

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