SCHEMBL6673774

SCHEMBL6673774

CCCCCCCCCCCC[N+]1([O-])CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.38
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
DNM1 Q05193 5/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
LSS P48449 1/20 0.31
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1258373 1.00 TSHR (0.38) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL15572200 1.00 TSHR (0.38) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL50152 0.98 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL7398423 0.98 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL8026449 0.98 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL11260353 0.98 TSHR (0.33) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL8590656 0.95 TSHR (0.32) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL9876888 0.93 TSHR (0.33) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL5469877 0.90 LMNA (0.30) TSHRLMNA
SCHEMBL1527590 0.88 CYP1A2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040030024-A1 Enhancement of the wetting of hydrophobic surfaces by aqueous surfactant solutions RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2004-02-12 US claimed
US-9500932-B2 Fast-response photorefractive polymer element NATIONAL UNIVERSITY CORPORATION KYOTO INSTITUTE OF TECHNOLOGY (JP) 2016-11-22 US disclosed
US-20150227019-A1 FAST-RESPONSE PHOTOREFRACTIVE POLYMER ELEMENT NATIONAL UNIVERSITY CORPORATION KYOTO INSTITUTE OF TECHNOLOGY (JP) 2015-08-13 US disclosed
WO-2004028676-A1 OPACIFICIERS HUNTSMAN INTERNATIONAL LLC (US) 2004-04-08 WO disclosed
EP-1333989-A1 INK JET PRINTING MATERIAL SIHL (CH) 2003-08-13 EP disclosed
WO-2002040288-A1 INK JET PRINTING MATERIAL SIHL (CH) 2002-05-23 WO disclosed