SCHEMBL9769597

SCHEMBL9769597

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
TRPA1 O75762 1/20 0.32
AKT1 P31749 1/20 0.32
PTGER1 P34995 2/20 0.31
PTGER4 P35408 2/20 0.31
PTGER3 P43115 2/20 0.31
PTGER2 P43116 2/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
USP2 O75604 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 1/20 0.31
AKR1C3 P42330 3/20 0.30
AKR1B10 O60218 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
Methacrylic Acid SCHEMBL9769602 0.86 THRB (0.34) ALDH1A1MAPTHPGD
SCHEMBL9769604 0.86 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL9769680 0.82 NR1H4 (0.39) TSHRTDP1
SCHEMBL7617402 0.79 RXRA (0.37) TDP1
SCHEMBL22889058 0.78 AKR1B10 (0.48) PTGS2TRPA1PTGER1PTGER4PTGER3
Acrylic Acid SCHEMBL9769683 0.77 PTGER4 (0.40) PTGER1PTGER4PTGER3PTGER2ALDH1A1
Vinyl Ether SCHEMBL3175883 0.76 PTGER4 (0.39) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL9255620 0.74 MEN1 (0.35) ALDH1A1MEN1KMT2ACYP3A4TDP1
SCHEMBL22198613 0.72 PKM (0.39) PTGS2TRPA1ALDH1A1MEN1KMT2A
SCHEMBL9769653 0.71 CYP3A4 (0.46) PTGER1PTGER4PTGER3PTGER2ALDH1A1

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