SCHEMBL1664003

SCHEMBL1664003

CCCCC1(C(=O)O)C2C=CC(C2)C1(C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC10A2 Q12908 2/20 0.37
CETP P11597 3/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL2014071 0.84 CTSL (0.35) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL1666301 0.82 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL1663446 0.80 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL1663428 0.70 ALDH1A1 (0.35) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL16344589 0.69 CETP (0.50) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL23912192 0.68 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRMAPK1L3MBTL1
SCHEMBL20879996 0.66 DDB1 (0.44) ALDH1A1TDP1MAPK1L3MBTL1DDB1
SCHEMBL1664673 0.66 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL25317306 0.66 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1L3MBTL1
SCHEMBL32674206 0.66 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011071674-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-06-16 WO disclosed
EP-2307476-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-04-13 EP disclosed
WO-2009152068-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2009-12-17 WO disclosed