SCHEMBL5288558

SCHEMBL5288558

CCCCCCCCCCCCCN1C=CN(CCC)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
MGLL Q99685 2/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
DNM1 Q05193 5/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
TBXAS1 P24557 1/20 0.35

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
SCHEMBL5286015 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5298511 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5301129 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL961147 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5282932 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5288272 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL4266801 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5291556 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5290116 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5289998 1.00 GUSB (0.39) GUSBEBPSIGMAR1PTGS1PTGS2

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed