SCHEMBL9253586

SCHEMBL9253586

COc1cccc(C(c2ccccc2)c2ccccc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
NFE2L2 Q16236 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
MAPT P10636 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42

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
SCHEMBL1050770 0.86 CASR (0.54) CASRL3MBTL1CYP3A4MTNR1AMTNR1B
Benzene SCHEMBL11146992 0.86 CASR (0.54) CASRL3MBTL1CYP3A4MTNR1AMTNR1B
SCHEMBL3039320 0.86 IDO1 (0.58) IDO1TDO2L3MBTL1MEN1CYP1A2
SCHEMBL13295542 0.84 CASR (0.53) CASRL3MBTL1CYP3A4MTNR1AMTNR1B
SCHEMBL14205688 0.84 CASR (0.53) CASRL3MBTL1CYP3A4MTNR1AMTNR1B
SCHEMBL28888567 0.83 CA12 (0.48) L3MBTL1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3261670 0.82 IDO1 (0.58) IDO1TDO2L3MBTL1MEN1CYP1A2
SCHEMBL8756705 0.80 AOC3 (0.49) CASRL3MBTL1MEN1CYP1A2CYP3A4
Dimethylamine SCHEMBL10781470 0.79 KMT2A (0.47) L3MBTL1MEN1CYP1A2RECQLKMT2A
SCHEMBL31145921 0.77 MEN1 (0.50) IDO1TDO2L3MBTL1MEN1KMT2A

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-5419966-A Solid support for synthesis of 3'-tailed oligonucleotides MICROPROBE CORPORATION (US) 1995-05-30 US claimed