SCHEMBL198068

SCHEMBL198068

CC(C)c1ncc(OC(=O)O)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ELANE P08246 2/20 0.33
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
APLNR P35414 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL185620 0.77 LMNA (0.35) ALDH1A1F2GLAHPGDELANE
SCHEMBL200701 0.76 HDAC3 (0.41) ALDH1A1HCAR3
SCHEMBL185449 0.74 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDHCAR2
SCHEMBL7020112 0.74 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDHCAR2
SCHEMBL185995 0.73 ALDH1A1 (0.59) ALDH1A1HTTF2GLAHPGD
SCHEMBL185429 0.73 ALDH1A1 (0.40) ALDH1A1HTTF2GLAHPGD
SCHEMBL186176 0.72 HDAC1 (0.42) ALDH1A1F2GLAHPGDHCAR2
SCHEMBL198067 0.72 ALDH1A1 (0.52) ALDH1A1HPGDHCAR3HCAR2KDM4E
SCHEMBL186008 0.72 GRM5 (0.39) ALDH1A1F2GLAHPGDHCAR3
SCHEMBL16712250 0.72 SMN1; SMN2 (0.34) ALDH1A1F2GLAHPGDELANE

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed