SCHEMBL3688558

SCHEMBL3688558

COC(=O)C(C)(C)NC(=O)CCN

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
DGAT1 O75907 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 5/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 1/20 0.31
KCNN4 O15554 1/20 0.31

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
SCHEMBL12361968 0.81 DGAT1 (0.39) ALDH1A1DGAT1NPSR1CNR2RECQL
SCHEMBL9671887 0.78 ALDH1A1 (0.48) ALDH1A1NPSR1KDM4ELMNARECQL
SCHEMBL20671829 0.77 DGAT1 (0.37) ALDH1A1DGAT1NPSR1CNR2
SCHEMBL1302691 0.76 SMN1; SMN2 (0.44) ALDH1A1KDM4ELMNARECQLTSHR
SCHEMBL484144 0.75 CNR2 (0.36) ALDH1A1DGAT1NPSR1CNR2KDM4E
SCHEMBL14902200 0.75 MGAM (0.41) ALDH1A1DGAT1NPSR1CNR2LMNA
SCHEMBL32683939 0.75 MGAM (0.41) DGAT1NPSR1CNR2RECQLTSHR
SCHEMBL10042967 0.73 DGAT1 (0.34) DGAT1NPSR1CNR2RECQL
SCHEMBL8364831 0.73 TSHR (0.40) ALDH1A1TSHR
SCHEMBL18312018 0.72 DGAT1 (0.39) ALDH1A1DGAT1NPSR1CNR2LMNA

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-2176217-A1 AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2010-04-21 EP disclosed
WO-2009007696-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2009-01-15 WO disclosed