SCHEMBL7457150

SCHEMBL7457150

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 1/20 0.43
F3 P13726 2/20 0.41
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PPARA Q07869 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 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
SCHEMBL7457144 1.00 TDP1 (0.44) TDP1POLBAPEX1HTTLMNA
SCHEMBL7514757 0.93 GSK3B (0.44) TDP1POLBAPEX1HTTLMNA
SCHEMBL7514749 0.93 GSK3B (0.44) TDP1POLBAPEX1HTTLMNA
SCHEMBL28770857 0.86 GSK3B (0.50) TDP1LMNAGSK3BF3THRB
SCHEMBL7458090 0.82 LMNA (0.64) TDP1LMNASMN1; SMN2GSK3BF3
SCHEMBL7458093 0.82 LMNA (0.64) TDP1LMNASMN1; SMN2GSK3BF3
SCHEMBL10777893 0.81 POLB (0.55) TDP1POLBAPEX1HTTLMNA
SCHEMBL10777890 0.81 POLB (0.55) TDP1POLBAPEX1HTTLMNA
SCHEMBL2221973 0.79 LMNA (0.62) TDP1POLBAPEX1HTTLMNA
SCHEMBL2221977 0.79 LMNA (0.62) TDP1POLBAPEX1HTTLMNA

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