SCHEMBL8043745

SCHEMBL8043745

COc1c(OCCCCCOc2ccc(C(=N)N)cc2)ccc(C(=O)N(C(C)C)C(C)C)c1/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.61
LTB4R2 Q9NPC1 1/20 0.61
F2 P00734 3/20 0.42
ST14 Q9Y5Y6 3/20 0.42
PLAU P00749 2/20 0.42
PRMT1 Q99873 3/20 0.40
PRMT5 O14744 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
TMPRSS2 O15393 1/20 0.40
PTP4A3 O75365 1/20 0.40
SLC22A3 O75751 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
S100B P04271 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
Hydrochloric Acid SCHEMBL8994936 0.84 LTB4R (0.70) LTB4RLTB4R2F2ST14PLAU
SCHEMBL9702010 0.79 LTB4R (0.61) LTB4RLTB4R2F2ST14PLAU
Hydrochloric Acid SCHEMBL8994959 0.76 LTB4R (0.73) LTB4RLTB4R2F2ST14PLAU
Hydrochloric Acid SCHEMBL8994874 0.76 LTB4R (0.76) LTB4RLTB4R2F2ST14PLAU
Moxilubant SCHEMBL1231167 0.76 LTB4R (1.00) LTB4RLTB4R2F2ST14PLAU
Moxilubant SCHEMBL29366878 0.76 LTB4R (1.00) LTB4RLTB4R2F2ST14PLAU
SCHEMBL14378909 0.76 LTB4R (0.94) LTB4RLTB4R2F2ST14PLAU
SCHEMBL8593207 0.76 LTB4R (0.63) LTB4RLTB4R2F2ST14PLAU
Hydrochloric Acid SCHEMBL8995014 0.75 LTB4R (0.92) LTB4RLTB4R2F2ST14PLAU
Moxilubant SCHEMBL6439215 0.75 LTB4R (1.00) LTB4RLTB4R2F2ST14PLAU

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
EP-0621032-B1 Controlled release drug delivery device NOVARTIS AG (CH) 2000-08-09 EP disclosed
US-5545442-A Method for using a radiation cured drug release controlling membrane CIBA-GEIGY CORPORATION (US) 1996-08-13 US disclosed
US-5532287-A Radiation cured drug release controlling membrane CIBA-GEIGY CORPORATION (US) 1996-07-02 US disclosed
EP-0621032-A1 Controlled release drug delivery device CIBA-GEIGY AG (CH) 1994-10-26 EP disclosed