SCHEMBL8960656

SCHEMBL8960656

CC(C)(C)OC(=O)N(CC(=O)OCc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
STAT5B P51692 1/20 0.41
SYK P43405 1/20 0.40
CA12 O43570 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MLYCD O95822 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3379315 0.90 HPGD (0.43) ALDH1A1L3MBTL1MAPK1MAPTHPGD
SCHEMBL192404 0.89 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPT
SCHEMBL7473118 0.84 LTB4R2 (0.49) ALDH1A1STAT5BSMN1; SMN2HDAC3HDAC1
SCHEMBL29077734 0.82 L3MBTL1 (0.50) ALDH1A1L3MBTL1MAPK1MAPTHPGD
SCHEMBL895556 0.82 MLYCD (0.39) ALDH1A1MLYCDSMN1; SMN2
SCHEMBL4832460 0.82 ALDH1A1 (0.56) LMNAALDH1A1MAPK1MAPTHPGD
SCHEMBL7703626 0.81 ALDH1A1 (0.49) LMNAALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL1826174 0.81 MLYCD (0.44) ALDH1A1MAPTCA12CA7CA9
SCHEMBL5210280 0.80 POLB (0.48) ALDH1A1L3MBTL1MAPTSYKMLYCD
SCHEMBL11651312 0.80 ESR1 (0.45) LMNAALDH1A1L3MBTL1HPGDSTAT5B

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
EP-0593615-B1 AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME (GB) 1996-01-31 EP claimed