SCHEMBL5301736

SCHEMBL5301736

CCCCCCCN1C=CN(CCCC)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
DNM1 Q05193 5/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
TBXAS1 P24557 1/20 0.36

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
SCHEMBL407655 1.00 GUSB (0.41) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL413478 1.00 GUSB (0.41) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5298382 1.00 GUSB (0.41) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL413207 1.00 GUSB (0.41) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL4063558 1.00 GUSB (0.41) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5289873 1.00 GUSB (0.41) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5294137 1.00 GUSB (0.41) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL412475 1.00 GUSB (0.41) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5294764 1.00 GUSB (0.41) GUSBEBPSIGMAR1PTGS1PTGS2
SCHEMBL5284445 1.00 GUSB (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118006084-A Toughened epoxy resin composite material based on metal-organic framework and preparation method thereof 长三角碳纤维及复合材料技术创新中心 2024-05-10 CN disclosed
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