SCHEMBL8920946

SCHEMBL8920946

CCCCCCCc1ccc(CCCCCCC)c(C#N)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TYR P14679 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX5 P09917 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPG Q9Y5X9 1/20 0.44
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 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
SCHEMBL5309215 1.00 TSHR (0.49) TSHRHSD17B10TYRMAPTTP53
SCHEMBL7573674 1.00 TSHR (0.49) TSHRHSD17B10TYRMAPTTP53
SCHEMBL7717377 1.00 TSHR (0.49) TSHRHSD17B10TYRMAPTTP53
SCHEMBL8861123 0.89 TSHR (0.40) TSHRHSD17B10TYRMAPTTP53
SCHEMBL10871876 0.87 TYR (0.51) TSHRHSD17B10TYRMAPTTP53
SCHEMBL27920567 0.87 TSHR (0.39) TSHRHSD17B10TYRMAPTTP53
SCHEMBL20343311 0.84 ALOX5 (0.46) TSHRHSD17B10MAPTALOX5LMNA
SCHEMBL9513811 0.83 HSD17B10 (0.62) TSHRHSD17B10MAPTTP53CYP3A4
SCHEMBL10794605 0.83 TSHR (0.37) TSHRHSD17B10TYRMAPTTP53
SCHEMBL10794610 0.83 TSHR (0.37) TSHRHSD17B10TYRMAPTTP53

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 5 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
EP-0346354-B1 SUBSTITUTED PHTHALOCYANINES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1992-08-19 EP disclosed
EP-0346354-A1 SUBSTITUTED PHTHALOCYANINES. SECR DEFENCE BRIT (GB) 1989-12-20 EP disclosed
WO-1988006175-A1 SUBSTITUTED PHTHALOCYANINES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1988-08-25 WO disclosed