SCHEMBL872693

SCHEMBL872693

Cc1ccc(N)c(OC(C)Oc2ccccc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 3/20 0.42
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A4 P31645 1/20 0.37
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RCE1 Q9Y256 1/20 0.35
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL9353881 0.90 ALDH1A1 (0.47) ALDH1A1GAATDP1ADRA2BPTGS1
SCHEMBL872064 0.85 ALDH1A1 (0.56) ALDH1A1GAATDP1ADRA2BPTGS1
SCHEMBL1341730 0.80 CYP3A4 (0.48) ALDH1A1GAATDP1CYP3A4ALOX15
SCHEMBL21693954 0.79 ALDH1A1 (0.41) ALDH1A1GAATDP1ADRA2BPTGS1
SCHEMBL3426863 0.77 ALDH1A1 (0.58) ALDH1A1GAATDP1ADRA2BPTGS1
SCHEMBL13262147 0.75 ALDH1A1 (0.45) ALDH1A1GAATDP1ADRA2BPTGS1
Acetic Acid SCHEMBL2127698 0.75 ALDH1A1 (0.45) ALDH1A1GAATDP1ADRA2BPTGS1
SCHEMBL15173401 0.74 SMN1; SMN2 (0.46) ALDH1A1GAATDP1CYP3A4ALOX15
SCHEMBL31375639 0.74 SMN1; SMN2 (0.46) ALDH1A1GAATDP1CYP3A4ALOX15
SCHEMBL871739 0.74 CYP2C9 (0.58) ALDH1A1GAATDP1ADRA2BPTGS1

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-2619199-A2 CYTOSOLIC FLUORESCENT ION INDICATORS Asante Research, LLC (US) 2013-07-31 EP disclosed
WO-2012040204-A2 CYTOSOLIC FLUORESCENT ION INDICATORS ASANTE RESEARCH, LLC (US) 2012-03-29 WO disclosed