SCHEMBL13469231

SCHEMBL13469231

CCO/N=C/c1ccccc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8449454 1.00 ADRA2A (0.42) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL17450354 0.86 HPGD (0.40) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL8460117 0.83 ADRA1D (0.40) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL13469228 0.83 ADRA1D (0.40) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL17450355 0.80 RIPK1 (0.37) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL12764020 0.79 SMN1; SMN2 (0.48) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL17450351 0.79 CYP24A1 (0.35) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL9449496 0.78 ALDH1A1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7399658 0.78 ADRA2B (0.42) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL7399647 0.78 ADRA2B (0.42) ADRA2AADRA2BADRA2CMEN1KMT2A

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
WO-2016008862-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-21 WO disclosed
WO-2012139891-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed