SCHEMBL6002947

SCHEMBL6002947

COc1cc2[nH]ccc(=O)c2cc1OC(C)C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.50
ALDH1A1 P00352 8/20 0.42
HPGD P15428 7/20 0.42
KDM4E B2RXH2 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
AHR P35869 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL7290216 1.00 IMPDH2 (0.50) IMPDH2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL372048 0.89 IMPDH2 (0.58) IMPDH2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL18525615 0.80 ALDH1A1 (0.40) IMPDH2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL17137434 0.80 NR4A2 (0.42) IMPDH2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15275124 0.79 IMPDH2 (0.50) IMPDH2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7290454 0.79 IMPDH2 (0.50) IMPDH2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7284981 0.79 IMPDH2 (0.50) IMPDH2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL17137555 0.79 ALDH1A1 (0.41) IMPDH2ALDH1A1HSD17B10
SCHEMBL14937519 0.78 IMPDH2 (0.54) IMPDH2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL16431809 0.78 IMPDH2 (0.51) IMPDH2ALDH1A1HPGDKDM4ESMN1; SMN2

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed