SCHEMBL5301810

SCHEMBL5301810

CCCCCCCCOC(N(C)C)=[N+](C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
EPHX1 P07099 1/20 0.41
TSHR P16473 3/20 0.40
HCAR2 Q8TDS4 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37
DNM1 Q05193 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
ACHE P22303 3/20 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
SCHEMBL5817893 1.00 NAAA (0.44) NAAACA12CA1CA2CA9
SCHEMBL5286378 1.00 NAAA (0.44) NAAACA12CA1CA2CA9
SCHEMBL5307359 1.00 NAAA (0.44) NAAACA12CA1CA2CA9
SCHEMBL5286363 1.00 NAAA (0.44) NAAACA12CA1CA2CA9
SCHEMBL5291988 1.00 NAAA (0.44) NAAACA12CA1CA2CA9
SCHEMBL5810479 1.00 NAAA (0.44) NAAACA12CA1CA2CA9
SCHEMBL5817157 1.00 NAAA (0.44) NAAACA12CA1CA2CA9
SCHEMBL5295931 1.00 NAAA (0.44) NAAACA12CA1CA2CA9
SCHEMBL5817550 0.98 CA12 (0.42) NAAACA12CA1CA2CA9
SCHEMBL5814573 0.92 ALDH1A1 (0.41) NAAACA12CA1CA2CA9

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