SCHEMBL27363085

SCHEMBL27363085

[CH2]C(C)(O)CCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CA1 P00915 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CHRM3 P20309 6/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6886009 0.81 TSHR (0.56) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL1902542 0.81 KDM4E (0.49) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL16391273 0.81 TSHR (0.47) TSHRKDM4EPOLBL3MBTL1SLC6A2
SCHEMBL18933241 0.81 TSHR (0.47) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL1902544 0.81 KDM4E (0.49) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL15899223 0.79 CA1 (0.46) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL18698623 0.79 TSHR (0.48) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL3956454 0.79 TSHR (0.48) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL9233739 0.79 KDM4E (0.50) TSHRKDM4EPOLBCA1L3MBTL1
SCHEMBL3951532 0.79 KDM4E (0.50) TSHRKDM4EPOLBCA1L3MBTL1

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-1053062-A Novel vitamin E derivatives and process for preparing the same EISAI CO LTD (JP) 1991-07-17 CN disclosed