SCHEMBL13623506

SCHEMBL13623506

O=C(COC1CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
GSK3B P49841 2/20 0.45
TRPA1 O75762 1/20 0.45
HIF1A Q16665 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL5799404 0.93 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL27878732 0.91 KMT2A (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4727617 0.88 CYP1A2 (0.48) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7420272 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5007090 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5007086 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL10831151 0.80 PRMT5 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL9175884 0.78 CYP1A2 (0.42) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11800977 0.76 KCNH2 (0.45) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL19884606 0.76 KMT2A (0.48) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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
US-7622269-B2 Methods of screening tyramine- and octopamine-expressing cells for compounds and compositions having potential insect control activity TYRATECH, INC. (US) 2009-11-24 US disclosed