SCHEMBL11530404

SCHEMBL11530404

Cc1[nH]c(=O)c(C)c(C)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TYMP P19971 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.31
ERN1 O75460 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
SCHEMBL13890096 0.77 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL2493416 0.73 SMN1; SMN2 (0.50) SMN1; SMN2NPC1GRIA1GRIA2GRIA3
SCHEMBL11761527 0.73 SMN1; SMN2 (0.38) SMN1; SMN2KMT2A
SCHEMBL5154556 0.71 NPC1 (0.55) SMN1; SMN2TYMPNPC1KDM4EHPGD
SCHEMBL21531656 0.71 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL10021065 0.71 PDE3B (0.45) PDE3BPDE3ATYMPKDM4EGAA
SCHEMBL599510 0.69 IGF1R (0.34) SMN1; SMN2KDM4EKMT2A
SCHEMBL1799592 0.67 SMN1; SMN2 (0.42) SMN1; SMN2NPC1KDM4EGAAHPGD
SCHEMBL1802370 0.67 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EHPGDHSD17B10KMT2A
SCHEMBL7297395 0.67 SMN1; SMN2 (0.41) SMN1; SMN2ERN1

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-4159202-A PHOTOCOPYING HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed