SCHEMBL15638367

SCHEMBL15638367

CC(C)(C)OC(=O)c1n[nH]c2ccc(B(O)OC(C)(C)C(C)(C)O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PRKAG1 P54619 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
GABRA1 P14867 9/20 0.33
GABRG2 P18507 9/20 0.33
GABRB3 P28472 9/20 0.33
GABRA3 P34903 9/20 0.33
GABRA2 P47869 9/20 0.33
GABRA5 P31644 7/20 0.33
GABRA6 Q16445 6/20 0.33
GABRA4 P48169 5/20 0.33
DYRK1A Q13627 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKAB2 O43741 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
SCHEMBL23901082 0.76 MAP2K4 (0.47) KDM4ESTAT3HIF1AALDH1A1LMNA
SCHEMBL27992673 0.74 GABRA1 (0.56) KDM4ESTAT3HIF1AALDH1A1LMNA
SCHEMBL1964170 0.74 PDPK1 (0.50) KDM4ESTAT3HIF1AALDH1A1LMNA
SCHEMBL16277904 0.73 CA12 (0.42) STAT3ALDH1A1GABRA1GABRG2GABRB3
SCHEMBL1963000 0.72 KDM4E (0.43) KDM4ESTAT3HIF1AALDH1A1LMNA
SCHEMBL8533 0.72 ADORA2A (0.33)
SCHEMBL5435670 0.71 KDM4E (0.69) KDM4ESTAT3HIF1AALDH1A1LMNA
SCHEMBL1571777 0.71 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL2191461 0.71 GAA (0.35) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL27694399 0.70 DYRK1A (0.49) KDM4ESTAT3HIF1AALDH1A1LMNA

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-2903978-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2015-08-12 EP disclosed
WO-2014055955-A1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-04-10 WO disclosed