SCHEMBL5808786

SCHEMBL5808786

CCCOC(=O)CNc1ccccc1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 3/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.41
TOP2A P11388 2/20 0.41
AGTR1 P30556 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5807040 0.88 KDM4E (0.53) ALDH1A1TDP1THRBKDM4ELMNA
SCHEMBL8035251 0.87 MEN1 (0.50) ALDH1A1TDP1THRBKDM4ELMNA
SCHEMBL5807758 0.83 KDM4E (0.49) ALDH1A1TDP1THRBL3MBTL1KDM4E
SCHEMBL28603994 0.82 THRB (0.49) ALDH1A1TDP1THRBKDM4ELMNA
SCHEMBL8047673 0.79 TSHR (0.51) ALDH1A1TDP1THRBL3MBTL1KDM4E
SCHEMBL5812620 0.79 TSHR (0.46) ALDH1A1TDP1THRBL3MBTL1KDM4E
SCHEMBL28414067 0.78 THRB (0.46) ALDH1A1TDP1THRBKDM4ELMNA
SCHEMBL10541023 0.78 KMT2A (0.50) ALDH1A1TDP1THRBL3MBTL1KDM4E
SCHEMBL1191120 0.76 GAA (0.54) ALDH1A1TDP1THRBLMNATOP2A
SCHEMBL28994698 0.76 KMT2A (0.57) ALDH1A1TDP1L3MBTL1LMNARAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed