SCHEMBL2051003

SCHEMBL2051003

COc1ccc([CH]Cc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
NR1H4 Q96RI1 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 3/20 0.49
TP53 P04637 3/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX12 P18054 1/20 0.49
LMNA P02545 2/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL1930129 0.88 ALDH1A1 (0.61) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL28846374 0.87 MEN1 (0.47) EPHX2NR1H4MEN1NPC1RAB9A
SCHEMBL7777160 0.81 RELA (0.60) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL3168388 0.81 RELA (0.60) ALDH1A1CYP3A4TP53ALOX15TSHR
SCHEMBL5360664 0.79 NFE2L2 (0.61) MEN1KMT2AL3MBTL1ALDH1A1CYP3A4
SCHEMBL5507847 0.79 ALDH1A1 (0.52) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL5253949 0.79 ALDH1A1 (0.52) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL8749818 0.79 CALM1 (0.58) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL16225102 0.79 LMNA (0.44) EPHX2NR1H4MEN1NPC1RAB9A
SCHEMBL6680147 0.79 ALDH1A1 (0.52) MEN1NPC1RAB9AKMT2AL3MBTL1

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-2510118-A2 PREFERENTIAL AMPLIFICATION OF MRNA OVER DNA USING CHEMICALLY MODIFIED PRIMERS Roche Diagniostics GmbH (DE) 2012-10-17 EP disclosed
WO-2011069676-A2 PREFERENTIAL AMPLIFICATION OF MRNA OVER DNA USING CHEMICALLY MODIFIED PRIMERS ROCHE DIAGNOSTICS GMBH (DE) 2011-06-16 WO disclosed