SCHEMBL11258880

SCHEMBL11258880

COc1ccc(-c2nccc3c(CC(=O)O)cccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.51
MMP12 P39900 3/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
MMP14 P50281 2/20 0.47
MMP16 P51512 2/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
PPARD Q03181 1/20 0.47
PTGDR2 Q9Y5Y4 7/20 0.46
PDE3A Q14432 2/20 0.46
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
PDE3B Q13370 1/20 0.44

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
SCHEMBL11246786 0.86 LMNA (0.48) PTGDR2TDP1KDM4EALDH1A1HPGD
SCHEMBL11251835 0.85 TDP1 (0.54) MMP2MMP12MMP9MMP8MMP13
SCHEMBL11261678 0.83 TDP1 (0.45) PTGDR2PTGS2PTGS1TDP1KDM4E
SCHEMBL11262804 0.83 TDP1 (0.45) MMP2MMP12MMP9MMP13MMP14
SCHEMBL11255704 0.83 PTGDR2 (0.49) PTGDR2PDE3ATDP1KDM4EALDH1A1
SCHEMBL11259158 0.82 TDP1 (0.42) PTGDR2TDP1KDM4E
SCHEMBL11250186 0.82 PTGDR2 (0.43) PTGDR2TDP1KDM4EALDH1A1
SCHEMBL11246793 0.80 PPARD (0.47) PPARDPTGDR2TDP1
SCHEMBL11499255 0.80 GAA (0.46) PTGDR2TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL11259907 0.79 IDO1 (0.49) PTGDR2PTGS2PTGS1TDP1KDM4E

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-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed