SCHEMBL28051596

SCHEMBL28051596

O=C(C=Cc1ccccc1)c1ccccc1C=Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
BCHE P06276 3/20 0.66
CYP2C19 P33261 1/20 0.66
MAOB P27338 4/20 0.58
CYP1B1 Q16678 3/20 0.58
PLIN1 O60240 2/20 0.58
LMNA P02545 2/20 0.58
RECQL P46063 2/20 0.58
PLIN5 Q00G26 2/20 0.58
ABHD5 Q8WTS1 2/20 0.58
TNFRSF1A P19438 1/20 0.58
ACHE P22303 1/20 0.58
TDP1 Q9NUW8 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
CYP3A4 P08684 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54

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
SCHEMBL11126185 0.89 HDAC3 (0.66) MAPTBCHECYP2C19MAOBCYP1B1
SCHEMBL13554389 0.82 GRIK1 (0.58) MAPTBCHECYP2C19PLIN1LMNA
SCHEMBL2291774 0.82 GRIK1 (0.58) MAPTBCHECYP2C19PLIN1LMNA
SCHEMBL1019981 0.82 GRIK1 (0.58) MAPTBCHECYP2C19PLIN1LMNA
SCHEMBL29542528 0.82 GRIK1 (0.58) MAPTBCHECYP2C19PLIN1LMNA
SCHEMBL25202121 0.81 MAPT (0.73) MAPTBCHECYP2C19MAOBCYP1B1
SCHEMBL17047852 0.81 MAPT (0.73) MAPTBCHECYP2C19MAOBCYP1B1
SCHEMBL31233508 0.81 MAPT (0.73) MAPTBCHECYP2C19MAOBCYP1B1
Hydrochloric Acid SCHEMBL26105180 0.81 GRIK1 (0.56) MAPTBCHECYP2C19PLIN1LMNA
SCHEMBL30383301 0.81 MAPT (0.73) MAPTBCHECYP2C19MAOBCYP1B1

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
CN-105432629-A Oxadiargyl and oxadiazon compound missible oil and preparation method thereof ANHUI MEILAND AGRICULTURAL DEV CO LTD 2016-03-30 CN disclosed