SCHEMBL4544126

SCHEMBL4544126

CCCOC(=O)OCCOCCOC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 7/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.35
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DGKA P23743 1/20 0.33
ALOX5 P09917 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
ACHE P22303 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL562046 0.93 HCAR2 (0.45) HCAR2ALDH1A1TSHRLMNAESR1
Bicarbonate SCHEMBL6036083 0.91 HCAR2 (0.43) HCAR2ALDH1A1TSHRLMNAESR1
SCHEMBL14199946 0.91 ALDH1A1 (0.46) HCAR2ALDH1A1TSHRLMNATP53
SCHEMBL12592795 0.89 ALDH1A1 (0.44) HCAR2ALDH1A1TSHRLMNATP53
SCHEMBL5932344 0.89 ALDH1A1 (0.44) HCAR2ALDH1A1TSHRLMNATP53
SCHEMBL5932202 0.89 ALDH1A1 (0.44) HCAR2ALDH1A1TSHRLMNATP53
SCHEMBL16732108 0.89 ALDH1A1 (0.44) HCAR2ALDH1A1TSHRLMNATP53
SCHEMBL3110838 0.87 ALDH1A1 (0.56) HCAR2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL29034631 0.87 ALDH1A1 (0.56) ALDH1A1TSHRLMNATP53HIF1A
SCHEMBL1471707 0.86 ALDH1A1 (0.46) HCAR2ALDH1A1TSHRLMNATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed