SCHEMBL6070187

SCHEMBL6070187

CCOC(=O)CC1(C(=O)OC)C(=O)Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
NAMPT P43490 1/20 0.38
NOTUM Q6P988 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
PPID Q08752 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2B Q13224 1/20 0.36
TOP2A P11388 1/20 0.36
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL7385232 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AL3MBTL1KCNH2
SCHEMBL1206839 0.76 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAGAA
SCHEMBL11704517 0.74 BRD4 (0.38) ALDH1A1NAMPTKMT2ALMNAKCNH2
SCHEMBL11704243 0.73 BRD4 (0.37) ALDH1A1NAMPTKMT2ALMNAKCNH2
SCHEMBL11700264 0.72 BRD4 (0.42) ALDH1A1L3MBTL1LMNAKCNH2BRD4
SCHEMBL3695615 0.71 ALDH1A1 (0.40) ALDH1A1KCNH2GRIN2BGAA
SCHEMBL6867000 0.70 CCR1 (0.40) NAMPTNOTUMSIGMAR1PPIDKCNH2
SCHEMBL29268477 0.68 KMT2A (0.43) ALDH1A1KMT2AL3MBTL1LMNAGAA
SCHEMBL6070188 0.68 ALDH1A1 (0.61) ALDH1A1KMT2AKCNH2
SCHEMBL22904560 0.67 BRD4 (0.48) NOTUMKMT2ALMNAPPIDKCNH2

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-7034055-B1 2-aminoindane analogs PRESCIENT NEUROPHARMA INC. (CA) 2006-04-25 US disclosed