SCHEMBL6649505

SCHEMBL6649505

CC(C)(C)OC(=O)c1c[nH]c2cc(CCO)ccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.47
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.41
CREBBP Q92793 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL6648434 0.91 GABRA1 (0.46) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1760236 0.91 NR4A2 (0.48) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6649760 0.81 SIGMAR1 (0.42) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1696922 0.81 NR4A2 (0.51) NR4A2MAPTCREBBPTUBB1
SCHEMBL6511301 0.80 NR4A2 (0.50) NR4A2MAPTCREBBPTUBB1
SCHEMBL5507447 0.80 NR4A2 (0.72) NR4A2MAPTCREBBPTUBB1
SCHEMBL30009696 0.80 NR4A2 (0.50) NR4A2MAPTCREBBPGABRA1TUBB1
SCHEMBL7360321 0.80 NR4A2 (0.50) NR4A2MAPTCREBBPGABRA1TUBB1
SCHEMBL31618837 0.80 NR4A2 (0.56) NR4A2MAPTCREBBPGABRA1GABRB2
SCHEMBL6647187 0.80 ALDH1A1 (0.52) NR4A2MAPTGABRA1GABRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 EP disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 WO disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 WO disclosed