SCHEMBL5290292

SCHEMBL5290292

Cc1cc(C)c[n+](CCCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.45
▸ CHRNA10 Q9GZZ6 3/20 0.45
▸ CHRNA9 Q9UGM1 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAOB P27338 2/20 0.42
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41

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
SCHEMBL4403361 0.89 CHRNA7 (0.41) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL13334231 0.87 CHRNA7 (0.56) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
Bromide SCHEMBL9167336 0.87 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EPOLBMAOB
SCHEMBL4400682 0.87 CHRNA7 (0.59) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
Bromide SCHEMBL3312585 0.86 CHRNA7 (0.57) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL4401401 0.85 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL4406770 0.83 ALDH1A1 (0.41) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL13595084 0.83 CHRNA7 (0.41) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL4401479 0.82 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
SCHEMBL5295991 0.82 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA

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
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