SCHEMBL9769680

SCHEMBL9769680

C=COC(=O)c1ccc(C(C)(C)C)cc1C/C=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.39
RXRA P19793 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP26B1 Q9NR63 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
ESR1 P03372 1/20 0.32
PTPN1 P18031 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
FTO Q9C0B1 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
SCHEMBL7617402 0.95 RXRA (0.37) NR1H4RXRATDP1CYP2D6HSP90AA1
SCHEMBL9769604 0.84 PTGER1 (0.41) TDP1MAPK1NPSR1SMN1; SMN2
SCHEMBL9769597 0.82 PTGS2 (0.33) TDP1TSHR
Acrylic Acid SCHEMBL9769683 0.76 PTGER4 (0.40) TSHRSMN1; SMN2
Methacrylic Acid SCHEMBL9769602 0.75 THRB (0.34) SMN1; SMN2
Vinyl Ether SCHEMBL3175883 0.74 PTGER4 (0.39) TSHRSMN1; SMN2
Acetic Acid SCHEMBL12469814 0.74 NR1H4 (0.31) NR1H4
SCHEMBL380175 0.72
SCHEMBL3345529 0.71 NR1H4 (0.31) NR1H4
SCHEMBL9769607 0.70 NPSR1 (0.38) NR1H4RXRATDP1MAPK1NPSR1

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-5006433-A Printing plate precursors for electrophotographic plate-making purposes FUJI PHOTO FILM CO., LTD. (JP) 1991-04-09 US disclosed