SCHEMBL16853083

SCHEMBL16853083

CCCCCCOCc1ccc(COCC)o1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.41
ALOX5 P09917 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CES2 O00748 1/20 0.35
LTA4H P09960 2/20 0.35
NOS1 P29475 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
TP53 P04637 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL16834662 0.94 NR5A1 (0.44) NR5A1MEN1KMT2ATDP1THRB
SCHEMBL16853025 0.94 NR5A1 (0.44) NR5A1MEN1KMT2ATDP1THRB
SCHEMBL16853030 0.94 NR5A1 (0.44) NR5A1MEN1KMT2ATDP1THRB
SCHEMBL16853087 0.94 NR5A1 (0.44) NR5A1MEN1KMT2ATDP1THRB
SCHEMBL13350505 0.93 ALOX5 (0.41) NR5A1ALOX5TDP1MAPTALDH1A1
SCHEMBL18135614 0.89 NR5A1 (0.41) NR5A1MEN1KMT2ATDP1THRB
SCHEMBL16853096 0.89 NR5A1 (0.41) NR5A1MEN1KMT2ATDP1THRB
SCHEMBL28158410 0.87 TSHR (0.40) NR5A1ALOX5KMT2ATDP1MAPT
SCHEMBL16834549 0.86 MEN1 (0.43) NR5A1MEN1KMT2ATDP1THRB
SCHEMBL16834829 0.86 NR5A1 (0.39) NR5A1MEN1KMT2ATDP1THRB

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
WO-2015094970-A1 MONO- AND DIALKYL ETHERS OF FURAN-2,5-DIMETHANOL AND (TETRA-HYDROFURAN-2,5-DIYL)DIMETHANOL AND AMPHIPHILIC DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2015-06-25 WO disclosed