SCHEMBL8835852

SCHEMBL8835852

CC(COCCOC(=O)/C=C\C(=O)O)OCCOC(=O)/C=C\C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 0.51
ATM Q13315 1/20 0.38
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.31

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
SCHEMBL8737983 0.80 TSHR (0.60) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL15129943 0.80 HCAR2 (0.53) HCAR2ATMALDH1A1TP53TSHR
SCHEMBL15129940 0.80 HCAR2 (0.53) HCAR2ATMALDH1A1TP53TSHR
SCHEMBL4140289 0.79 TDP1 (0.41) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL24040550 0.78 HCAR2 (0.65) HCAR2ATMALDH1A1TP53TSHR
SCHEMBL19029663 0.78 HCAR2 (0.65) HCAR2ATMALDH1A1TP53TSHR
SCHEMBL19029632 0.78 HCAR2 (0.65) HCAR2ATMALDH1A1TP53TSHR
SCHEMBL27407116 0.78 HCAR2 (0.65) HCAR2ATMALDH1A1TP53TSHR
SCHEMBL1246093 0.78 HCAR2 (0.65) HCAR2ATMALDH1A1TP53TSHR
SCHEMBL637852 0.78 HCAR2 (0.65) HCAR2ATMALDH1A1TP53TSHR

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-5604573-A Developing unit with a smoothing plate KONICA CORPORATION (JP) 1997-02-18 US disclosed