SCHEMBL3473044

SCHEMBL3473044

CCCCCC1(COc2ccccc2)COC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
MAPK1 P28482 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 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
SCHEMBL36030 0.82 MEN1 (0.41) LTA4HHTR1ALMNAKCNA3CHRNB2
SCHEMBL24299908 0.82 CYP1A2 (0.40) LTA4HMAPK1CHRM2CHRM1HTR2A
SCHEMBL2850237 0.82 KCNA3 (0.43) LTA4HHTR1AMAOAALDH1A1KCNA3
SCHEMBL24610006 0.81 MAPK1 (0.39) LTA4HMAPK1L3MBTL1CHRM2CHRM1
SCHEMBL13301302 0.77 LTA4H (0.51) LTA4HHRH3SMN1; SMN2MEN1KMT2A
SCHEMBL28217422 0.76 LTA4H (0.45) LTA4HMAPK1L3MBTL1CHRM2CHRM1
SCHEMBL1714455 0.76 ALDH1A1 (0.42) MAPK1ALDH1A1KCNA3MEN1KMT2A
SCHEMBL9080688 0.76 TDP1 (0.38) HTR1AALDH1A1KCNA3
SCHEMBL14075160 0.74 HDAC3 (0.45) LTA4HMAPK1KCNH2HRH3KCNA3
SCHEMBL27763916 0.74 HTR1A (0.39) LTA4HHTR1ALMNAALDH1A1CYP3A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378012-B2 Flame retardant composition and hydrolysis-susceptible resin containing same ICL-IP AMERICA INC. (US) 2013-02-19 US claimed
US-20100044654-A1 Flame Retardant Composition and Hydrolysis-Susceptible Resin Containing Same ICL-IP AMERICA INC. 2010-02-25 US claimed
EP-1945711-A1 FLAME RETARDANT COMPOSITION AND HYDROLYSIS-SUSCEPTIBLE RESIN CONTAINING SAME Supresta LLC (US) 2008-07-23 EP claimed
WO-2007056456-A1 FLAME RETARDANT COMPOSITION AND HYDROLYSIS-SUSCEPTIBLE RESIN CONTAINING SAME SUPRESTA LLC (US) 2007-05-18 WO claimed
EP-0013376-A2 Isoxazole derivative, process for its preparation and composition containing it HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-23 EP claimed
US-8378012-B2 Flame retardant composition and hydrolysis-susceptible resin containing same ICL-IP AMERICA INC. (US) 2013-02-19 US disclosed
US-20100044654-A1 Flame Retardant Composition and Hydrolysis-Susceptible Resin Containing Same ICL-IP AMERICA INC. 2010-02-25 US disclosed
EP-1945711-A1 FLAME RETARDANT COMPOSITION AND HYDROLYSIS-SUSCEPTIBLE RESIN CONTAINING SAME Supresta LLC (US) 2008-07-23 EP disclosed
WO-2007056456-A1 FLAME RETARDANT COMPOSITION AND HYDROLYSIS-SUSCEPTIBLE RESIN CONTAINING SAME SUPRESTA LLC (US) 2007-05-18 WO disclosed
US-4342681-A Use of organic silicon compounds in combination with oxetane compounds, dioxanes or tetrahydrofuranes for stabilizing and brightening polycarbonates which are free from phosphites and free from boric acid esters BAYER AKTIENGESELLSCHAFT (DE) 1982-08-03 US disclosed
EP-0019217-A1 Use of organic silicium compounds in combination with oxetane compounds, dioxanes or tetrahydrofuranes for the stabilisation and brightening of polycarbonates free from phosphites and boric acid esters BAYER AG (DE) 1980-11-26 EP disclosed
US-4102859-A PHOSPHOROUS ACID ESTERS WITH OXETANE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed