SCHEMBL5295995

SCHEMBL5295995

CCC(c1ccccc1)[n+]1ccc(C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HTR2A P28223 4/20 0.33
HRH1 P35367 4/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MIF P14174 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HKDC1 Q2TB90 1/20 0.31
TRPA1 O75762 1/20 0.31
CCR5 P51681 1/20 0.30

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
SCHEMBL5292306 0.80 LMNA (0.41) LMNAHTR2AHRH1POLBTDP1
SCHEMBL5295984 0.79 LMNA (0.41) LMNAHTR2AHRH1POLBATM
SCHEMBL5294205 0.78 LMNA (0.36) LMNAHTR2AHRH1POLBATM
SCHEMBL5282777 0.77 LMNA (0.45) LMNAHTR2AHRH1POLBTDP1
SCHEMBL5284577 0.77 LMNA (0.35) LMNAHTR2AHRH1POLBTAAR1
SCHEMBL5302177 0.77 TP53 (0.48) LMNAHTR2AHRH1POLBATM
SCHEMBL5332811 0.76 LMNA (0.37) LMNAHTR2AHRH1POLBTDP1
Bromide SCHEMBL2745244 0.76 CHRNA7 (0.32)
SCHEMBL5302810 0.76 PPARG (0.36) LMNAHTR2AHRH1POLBTDP1
SCHEMBL5328939 0.75 CRHBP (0.40) LMNAHTR2AHRH1POLBTDP1

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