SCHEMBL1665063

SCHEMBL1665063

CCCCC1(C(=O)OCc2ccccc2)CC=CCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CETP P11597 3/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL16344589 0.82 CETP (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1664848 0.81 KMT2A (0.46) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16347174 0.79 CETP (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16344798 0.78 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16345450 0.78 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16345546 0.78 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL472086 0.77 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1L3MBTL1DDB1
SCHEMBL22441539 0.75 CPB2 (0.34) CETPMEN1KMT2A
SCHEMBL11368685 0.74 ALDH1A1 (0.53) ALDH1A1MAPK1TDP1L3MBTL1DDB1
SCHEMBL28300763 0.73 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRMAPK1TDP1

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-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
US-20100113664-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2010-05-06 US disclosed
WO-2009152068-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2009-12-17 WO disclosed