SCHEMBL7454597

SCHEMBL7454597

C=C(C)C(=O)OCC(C)OC/C=C/c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
GSK3B P49841 1/20 0.42
F3 P13726 2/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
BCHE P06276 1/20 0.39
NFKB1 P19838 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
SCHEMBL7454599 1.00 TSHR (0.43) TSHRTDP1LMNACYP3A4ALDH1A1
SCHEMBL28770857 0.85 GSK3B (0.50) TDP1LMNACYP3A4ALDH1A1MAPT
SCHEMBL7457028 0.83 MAPT (0.42) TDP1LMNACYP3A4ALDH1A1MAPT
SCHEMBL7457033 0.83 MAPT (0.42) TDP1LMNACYP3A4ALDH1A1MAPT
SCHEMBL7459595 0.81 TDP1 (0.54) TDP1LMNAMAPTGSK3BF3
SCHEMBL7459590 0.81 TDP1 (0.54) TDP1LMNAMAPTGSK3BF3
SCHEMBL7514749 0.79 GSK3B (0.44) TDP1LMNACYP3A4ALDH1A1MAPT
SCHEMBL7514757 0.79 GSK3B (0.44) TDP1LMNACYP3A4ALDH1A1MAPT
SCHEMBL7464384 0.79 TDP1 (0.57) TDP1LMNAMAPTGSK3BF3
SCHEMBL7464390 0.79 TDP1 (0.57) TDP1LMNAMAPTGSK3BF3

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