SCHEMBL8117447

SCHEMBL8117447

Bc1cnc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.36
EPAS1 Q99814 3/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CA7 P43166 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 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
SCHEMBL2628506 0.79 HIF1A (0.36) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL14930303 0.73 HIF1A (0.42) HIF1AEPAS1
SCHEMBL7300235 0.68 CA12 (0.43) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL2564066 0.66 ALDH1A1 (0.38) HIF1AEPAS1ALDH1A1KDM4EPOLB
SCHEMBL2008330 0.61 ALDH1A1 (0.43) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL2004771 0.60 ALDH1A1 (0.40) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL2012701 0.58 ALDH1A1 (0.49) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL15989633 0.57 ALDH1A1 (0.56) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL8810009 0.57 HIF1A (0.41) HIF1AEPAS1ALDH1A1HPGDCYP3A4
SCHEMBL10772005 0.56 HIF1A (0.37) HIF1AEPAS1ALDH1A1HPGDCYP3A4

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-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed