SCHEMBL5452606

SCHEMBL5452606

CCCCC(CC)COC=C(C)C(=O)OCCOCCOCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
CYP3A4 P08684 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.38
CA2 P00918 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL546262 1.00 TSHR (0.43) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL14718109 0.90 TSHR (0.46) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL28527086 0.82 TSHR (0.39) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL4969449 0.82 TSHR (0.47) TSHRCYP3A4ATMALDH1A1MEN1
SCHEMBL4965587 0.80 THRB (0.48) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL5452604 0.80 THRB (0.48) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL10705649 0.79 CYP3A4 (0.49) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL4969160 0.79 MEN1 (0.53) TSHRCYP3A4ALDH1A1MEN1THRB
SCHEMBL28876499 0.79 TSHR (0.35) TSHRALDH1A1MEN1THRBKMT2A
SCHEMBL28386487 0.79 TSHR (0.47) TSHRCYP3A4ATMALDH1A1MEN1

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-20070048467-A1 Information recording medium HITACHI MAXELL, LTD. 2007-03-01 US disclosed