SCHEMBL8553610

SCHEMBL8553610

CC(C)Cc1cc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
ENPP2 Q13822 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HSP90AA1 P07900 1/20 0.44
ESR2 Q92731 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
B3GNT2 Q9NY97 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
EIF4A3 P38919 1/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL7416107 0.84 KIF11 (0.46) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL5981755 0.80 CASP3 (0.51) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL5694483 0.80 CASP3 (0.54) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL19997297 0.79 CASP3 (0.50) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL16380980 0.76 CASP3 (0.54) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL10986953 0.75 RARB (0.48) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL10985937 0.75 RARB (0.48) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL10983069 0.75 RARB (0.48) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL11094721 0.75 RARB (0.48) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL10987508 0.75 RARB (0.48) CASP3SENP8SENP7SENP6ALDH1A1

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-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed