SCHEMBL16865166

SCHEMBL16865166

C=Cc1ccc(COC(=O)C2CC2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 1/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL1838935 0.80 ALDH1A1 (0.55) NPC1RAB9AKDM4EGAAL3MBTL1
SCHEMBL1838938 0.80 ALDH1A1 (0.55) NPC1RAB9AKDM4EGAAL3MBTL1
SCHEMBL28390524 0.78 MIF (0.44) ALDH1A1
SCHEMBL1051823 0.76 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL26417034 0.76 ALDH1A1 (0.44) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL14944204 0.74 AKR1B10 (0.42) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL12061030 0.73 MEN1 (0.46) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL15907712 0.73 TAS1R3 (0.43) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL10702385 0.73 MEN1 (0.38) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6391964 0.73 HCAR2 (0.56) MEN1KMT2AALDH1A1POLB

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-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed