SCHEMBL7459595

SCHEMBL7459595

C=C(C)C(=O)OCC(C)OC(=O)C=Cc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 2/20 0.54
GSK3B P49841 1/20 0.48
F3 P13726 2/20 0.47
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL7459590 1.00 TDP1 (0.54) TDP1LMNAGSK3BF3THRB
SCHEMBL7464390 0.91 TDP1 (0.57) TDP1LMNAGSK3BF3THRB
SCHEMBL7464384 0.91 TDP1 (0.57) TDP1LMNAGSK3BF3THRB
SCHEMBL11880728 0.86 KMT2A (0.50) TDP1LMNAATMMEN1KMT2A
SCHEMBL11880732 0.86 KMT2A (0.50) TDP1LMNAATMMEN1KMT2A
SCHEMBL10079591 0.83 LMNA (0.52) TDP1LMNAGSK3BF3THRB
SCHEMBL8157084 0.81 TDP1 (0.64) TDP1LMNAGSK3BF3THRB
SCHEMBL7454597 0.81 TSHR (0.43) TDP1LMNAGSK3BF3THRB
SCHEMBL7454599 0.81 TSHR (0.43) TDP1LMNAGSK3BF3THRB
SCHEMBL19244435 0.79 TDP1 (0.60) TDP1LMNAGSK3BF3THRB

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
EP-1198220-A1 SUNBLOCKING POLYMERS AND THEIR NOVEL FORMULATIONS BIOPHYSICA, INC. (US) 2002-04-24 EP claimed
WO-2001008647-A1 SUNBLOCKING POLYMERS AND THEIR NOVEL FORMULATIONS BIOPHYSICA, INC. (US) 2001-02-08 WO claimed
US-6123928-A Sunblocking polymers and their novel formulations BIOPHYSICA, INC. (US) 2000-09-26 US claimed