SCHEMBL13367251

SCHEMBL13367251

CC(C)C(=O)C(C(C)C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
ALDH1A1 P00352 5/20 0.60
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 2/20 0.47
PLAU P00749 1/20 0.47
ELANE P08246 1/20 0.47
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30299438 0.85 TP53 (0.67) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL1171070 0.85 TP53 (0.67) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL542855 0.85 TP53 (0.67) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL511872 0.85 TP53 (0.67) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL14648856 0.84 TP53 (0.60) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL19359219 0.84 TP53 (0.60) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL12284244 0.84 TP53 (0.60) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL1927731 0.84 TP53 (0.60) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL12284622 0.84 TP53 (0.60) TP53ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL19359544 0.84 ALDH1A1 (0.63) TP53ALDH1A1LMNASMN1; SMN2TSHR

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
WO-2010056778-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES, INC. (US) 2010-05-20 WO disclosed