SCHEMBL2722685

SCHEMBL2722685

CC(C)OC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ABCB1 P08183 1/20 0.54
CTSV O60911 4/20 0.53
CTSL P07711 4/20 0.53
POLB P06746 1/20 0.51
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 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
SCHEMBL751415 0.87 KMT2A (0.62) MAPTMEN1KMT2AABCB1CTSV
SCHEMBL11091089 0.85 CTSV (0.57) MAPTMEN1KMT2AABCB1CTSV
SCHEMBL5299658 0.85 ABCB1 (0.55) MAPTMEN1KMT2AABCB1CTSV
SCHEMBL965943 0.84 ALDH1A1 (0.63) MAPTMEN1KMT2AABCB1CTSV
SCHEMBL29368594 0.84 ALDH1A1 (0.63) MAPTMEN1KMT2AABCB1CTSV
SCHEMBL750245 0.84 CTSV (0.63) MAPTMEN1KMT2AABCB1CTSV
SCHEMBL16005076 0.84 MAPT (0.61) MAPTMEN1KMT2AABCB1CTSV
SCHEMBL21775128 0.82 SMN1; SMN2 (0.65) MAPTMEN1KMT2AABCB1CTSV
SCHEMBL750963 0.82 CTSV (0.58) MAPTMEN1KMT2AABCB1CTSV
SCHEMBL16004968 0.82 ABCB1 (0.59) MAPTMEN1KMT2AABCB1CTSV

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-2012053768-A2 ARYLOXYPHENOXYACETYL-BASED COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-26 WO disclosed