SCHEMBL5300666

SCHEMBL5300666

CCCCCCCCCCCCCCCCCN1C=CN(CCCCCCC)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.42
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DNM1 Q05193 5/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MGLL Q99685 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
TBXAS1 P24557 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5305780 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1
SCHEMBL5814171 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1
SCHEMBL4062600 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1
SCHEMBL4238316 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1
SCHEMBL4235565 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1
SCHEMBL5814257 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1
SCHEMBL5292901 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1
SCHEMBL5811995 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1
SCHEMBL5282453 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1
SCHEMBL4067765 1.00 GUSB (0.42) GUSBEBPSIGMAR1DNM1PTGS1

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