SCHEMBL8923586

SCHEMBL8923586

CCCCCCCCCCc1ccc(CCCCCCCCCC)c2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c41)-c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c1-3)c1c(CCCC(=O)O)ccc(CCCC(=O)O)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR2 O95136 2/20 0.44
CYSLTR2 Q9NS75 7/20 0.43
CYSLTR1 Q9Y271 7/20 0.43
OXER1 Q8TDS5 3/20 0.41
SCD O00767 1/20 0.40
PPARA Q07869 4/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
TSHR P16473 2/20 0.38
GPR84 Q9NQS5 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TLR2 O60603 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL10595842 0.92 CYSLTR2 (0.44) S1PR1S1PR3S1PR2CYSLTR2CYSLTR1
SCHEMBL7530621 0.90 KCNH2 (0.38) TSHRGPR84TDP1MEN1ALOX15
SCHEMBL7572175 0.88 KCNH2 (0.35) TSHRGPR84TDP1MEN1ALOX15
SCHEMBL4522301 0.79 SPHK2 (0.33) TSHRTDP1MEN1ALOX15KMT2A
SCHEMBL13062954 0.70 SCD (0.59) CYSLTR2CYSLTR1SCDPPARAPPARG
SCHEMBL14944906 0.70 SCD (0.59) CYSLTR2CYSLTR1SCDPPARAPPARG
SCHEMBL13720120 0.70 SCD (0.59) CYSLTR2CYSLTR1SCDPPARAPPARG
SCHEMBL25170031 0.68 CYSLTR2 (0.68) CYSLTR2CYSLTR1PPARAPPARGPPARD
SCHEMBL27262058 0.68 CYSLTR2 (0.68) CYSLTR2CYSLTR1PPARAPPARGPPARD
SCHEMBL6151349 0.67 S1PR1 (0.71) S1PR1S1PR3S1PR2CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618929-A INFRARED ABSORBING/VISIBLE WAVELENGTH TRANSPARENT; LANGMUIR-BLODGETT FILMS, LIQUID CRYSTAL DISPLAYS, OPTICAL RECORDING MEDIA THE SECRETARY OF STATE FOR DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1997-04-08 US disclosed
US-5506708-A LIQUID CRYSTALS, LANGMUIR-BLODGETT FILMS THE SECRETARY OF STATE FOR DEFENCE IN HER MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1996-04-09 US disclosed