SCHEMBL5616152

SCHEMBL5616152

CC1(C)C2CC3CC(C2)CC1(C(=O)NO)C3

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
GLA P06280 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL5248488 0.78 THRB (0.36) GAAEPHX1EPHX2ALDH1A1
SCHEMBL6860976 0.78 GAA (0.38) GAAGLAEPHX1EPHX2ALDH1A1
Bromide SCHEMBL27511892 0.76 THRB (0.35) GAAEPHX1EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL27525501 0.76 THRB (0.35) GAAEPHX1EPHX2ALDH1A1
SCHEMBL6854374 0.76 EPHX1 (0.34) GAAGLAEPHX1EPHX2ALDH1A1
SCHEMBL2849062 0.76 ALDH1A1 (0.39) GAAEPHX1EPHX2ALDH1A1NPC1
SCHEMBL4711516 0.71 THRB (0.34) GAAEPHX1EPHX2ALDH1A1
SCHEMBL4710035 0.70 ALDH1A1 (0.39) GAAGLAEPHX1EPHX2ALDH1A1
SCHEMBL31053476 0.70 HTT (0.53) GAAGLAALDH1A1LMNA
Bicarbonate SCHEMBL28147558 0.68 THRB (0.35) GAAEPHX1EPHX2ALDH1A1NPC1

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-1861126-A2 TREATMENT OF PROTEIN DEGRADATION DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-12-05 EP disclosed
WO-2006102557-A2 TREATMENT OF PROTEIN DEGRADATION DISORDERS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-28 WO disclosed