SCHEMBL5283192

SCHEMBL5283192

CCCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCC)C1CCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
GUSB P08236 2/20 0.34
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TBXAS1 P24557 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
DNM1 Q05193 3/20 0.33
GALR3 O60755 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL5304321 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5292394 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5282898 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5307669 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5291492 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5291380 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5818045 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5816172 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5282516 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5303159 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1

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