SCHEMBL8740832

SCHEMBL8740832

C=CC(=O)OCC(COCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.52
HPGD P15428 1/20 0.46
ALDH1A1 P00352 6/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 3/20 0.39
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.30

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
SCHEMBL18116697 0.86 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL554767 0.86 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28332301 0.85 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7630364 0.83 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21819975 0.83 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29043639 0.81 TSHR (0.55) TSHRHPGDALDH1A1THRBCYP3A4
SCHEMBL16260091 0.79 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL643416 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27662632 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12570110 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A

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-5700612-A PEELABLE TRANSFER LAYER CONTAINING RESIN CAPABLE OF BEING REMOVED UPON CHEMICAL TREATMENT FUJI PHOTO FILM CO., LTD. (JP) 1997-12-23 US disclosed
US-5652076-A Method for preparation of printing plate by electrophotographic process FUJI PHOTO FILM CO., LTD. (JP) 1997-07-29 US disclosed