SCHEMBL6705582

SCHEMBL6705582

Cc1ccc(OC=CC(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
LMNA P02545 1/20 0.36
RELA Q04206 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TEAD4 Q15561 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
WDR5 P61964 1/20 0.32
POLB P06746 1/20 0.32
PPARA Q07869 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7765178 0.79 CYP1A2 (0.46) CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL7723280 0.79 ACHE (0.41) ACHELMNARELACYP3A4TSHR
SCHEMBL21881722 0.78 ACHE (0.52) ACHELMNARELACYP3A4TSHR
SCHEMBL16455125 0.71 ACHE (0.37) ACHELMNARELACYP3A4TSHR
SCHEMBL25990683 0.70 ACHE (0.50) ACHELMNARELACYP3A4TSHR
SCHEMBL28847935 0.68 CYP3A4 (0.60) RELACYP3A4CYP2C9CYP2C19MEN1
SCHEMBL12241652 0.68 CYP3A4 (0.60) RELACYP3A4CYP2C9CYP2C19MEN1
SCHEMBL24043825 0.68 ALDH1A1 (0.50) ACHELMNACYP3A4TSHRMEN1
SCHEMBL28462523 0.68 ACHE (0.52) ACHELMNARELACYP3A4TSHR
SCHEMBL7521294 0.67 ACHE (0.46) ACHELMNACYP3A4TSHRUSP2

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-2004101597-A2 METHODS FOR THE REDUCTION OF DISULFIDE BONDS FRUTAROM LTD. (IL) 2004-11-25 WO disclosed