SCHEMBL4583356

SCHEMBL4583356

CC(C)(C)N1CC(O)(CC[N+](=O)[O-])C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3829959 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL23995705 0.69 CRHBP (0.34) CRHBPCRHR2ALDH1A1
SCHEMBL27172964 0.68 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL2244583 0.68 CRHBP (0.53) CRHBPCRHR2
SCHEMBL3651855 0.67 ALDH1A1 (0.43) ALDH1A1
SCHEMBL35211321 0.67 CRHBP (0.33) CRHBPCRHR2
SCHEMBL35211323 0.67 CRHBP (0.33) CRHBPCRHR2
SCHEMBL1994684 0.67 CRHBP (0.63) CRHBPCRHR2ALDH1A1
Nitric Acid SCHEMBL8647053 0.67 CRHBP (0.57) CRHBPCRHR2ALDH1A1
Hydrochloric Acid SCHEMBL3737938 0.67 CRHBP (0.52) CRHBPCRHR2

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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed