SCHEMBL2146097

SCHEMBL2146097

CCCCOC(=O)N1CC(OC)CC1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 1/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ECE1 P42892 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ATM Q13315 2/20 0.33
RAB9A P51151 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
AGTR2 P50052 2/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PPP5C P53041 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL28233898 0.88 GBA2 (0.40) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL10084439 0.83 ATM (0.53) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL10292032 0.83 ATM (0.53) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL20558080 0.83 ATM (0.53) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL1585134 0.83 GBA2 (0.46) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL31728231 0.83 ATM (0.53) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL3663153 0.83 ATM (0.53) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL10084437 0.83 ATM (0.53) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL26118872 0.82 TMEM97 (0.38) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL44642 0.82 GBA2 (0.42) GBA2LMNAPOLBSMN1; SMN2ECE1

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
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed