SCHEMBL1741079

SCHEMBL1741079

C=CN1CCC(CCCCCCCCCCCC)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR5 Q9H228 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
S1PR4 O95977 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
GBA1 P04062 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
SCHEMBL11668569 1.00 CYP1A2 (0.37) CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL30593904 1.00 CYP1A2 (0.37) CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL22731769 1.00 CYP1A2 (0.37) CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL26698417 1.00 CYP1A2 (0.37) CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL17895159 1.00 CYP1A2 (0.37) CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL6529328 0.98 CYP1A2 (0.35) CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL531034 0.94 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL20136144 0.91 CHRNB2 (0.37) CYP1A2CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL3365506 0.87
SCHEMBL21449079 0.87 FAAH (0.35)

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-8580055-B2 Mixtures and emulsions to reduce energy in gypsum wallboard manufacture HENRY COMPANY LLC (US) 2013-11-12 US claimed
CN-102292304-A Mixtures and emulsions to reduce energy in gypsum wallboard manufacture 2011-12-21 CN claimed
EP-2389344-A1 MIXTURES AND EMULSIONS TO REDUCE ENERGY IN GYPSUM WALLBOARD MANUFACTURE Henry Company LLC (US) 2011-11-30 EP claimed
US-8040362-B2 Driving device and related output enable signal transformation device in an LCD device NOVATEK MICROELECTRONICS CORP. (TW) 2011-10-18 US claimed
US-20100186870-A1 MIXTURES AND EMULSIONS TO REDUCE ENERGY IN GYPSUM WALLBOARD MANUFACTURE HENRY COMPANY LLC 2010-07-29 US claimed
WO-2010085634-A1 MIXTURES AND EMULSIONS TO REDUCE ENERGY IN GYPSUM WALLBOARD MANUFACTURE HENRY COMPANY (US) 2010-07-29 WO claimed