SCHEMBL7937211

SCHEMBL7937211

CCOC(=O)C1CCN(c2nccc(-c3cc(C)ccc3OCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 11/20 0.43
GUCY1A2 P33402 11/20 0.43
GUCY1A1 Q02108 11/20 0.43
GUCY1B1 Q02153 11/20 0.43
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTPN11 Q06124 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 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
SCHEMBL4000642 0.89 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3234865 0.86 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3626707 0.86 MEN1 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3998970 0.80 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3620263 0.80 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL4000871 0.80 L3MBTL1 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ALDH1A1
SCHEMBL3622541 0.80 KDM4E (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL7934714 0.79 MAPT (0.36) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3229753 0.78 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3624462 0.78 EPHX2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1

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-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed