SCHEMBL27909433

SCHEMBL27909433

CC(C)(C)OC(=O)c1cccc2[nH]cc(C(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.46
AR P10275 2/20 0.41
CREBBP Q92793 1/20 0.40
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
PBRM1 Q86U86 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL27968725 0.84 NR4A2 (0.64) NR4A2CREBBPHSD17B10MAPTALOX15
SCHEMBL3918274 0.83 NR4A2 (0.56) NR4A2ARCREBBPCYP1A2MEN1
SCHEMBL28046327 0.80 NR4A2 (0.49) NR4A2CREBBP
SCHEMBL3995062 0.80 NR4A2 (0.72) NR4A2CREBBP
SCHEMBL5592328 0.80 NR4A2 (0.49) NR4A2CREBBPMEN1KMT2A
SCHEMBL1759590 0.78 NR4A2 (0.47) NR4A2CREBBPMEN1MAPTKMT2A
SCHEMBL1760252 0.78 NR4A2 (0.47) NR4A2CREBBPMEN1MAPTKMT2A
SCHEMBL27771709 0.77 NR4A2 (0.49) NR4A2CREBBPMEN1MAPTKMT2A
SCHEMBL28284795 0.77 NR4A2 (0.49) NR4A2ARCREBBPMEN1MAPT
SCHEMBL9077031 0.76 KMT2A (0.52) HSD17B10MEN1MAPTKMT2AALOX15

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
CN-103145711-A Azaadamantane ester and carbamate derivatives and methods of use thereof ABBOTT LAB 2013-06-12 CN disclosed