SCHEMBL5287867

SCHEMBL5287867

CCC(c1ccccc1)[n+]1cc(C(C)C)cc(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
TRPA1 O75762 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
HTR2A P28223 2/20 0.34
HRH1 P35367 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 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
SCHEMBL5332811 0.84 LMNA (0.37) LMNACYP3A4CYP1A2CYP2C19CRHBP
SCHEMBL5290287 0.80 LMNA (0.39) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL5328939 0.80 CRHBP (0.40) LMNACYP3A4CYP1A2CYP2C19CRHBP
SCHEMBL5306235 0.79 TP53 (0.45) LMNACYP3A4CYP1A2CYP2C19CRHBP
SCHEMBL5287438 0.77 HTR2A (0.37) LMNACYP3A4CYP1A2CYP2C19CRHBP
SCHEMBL5282777 0.75 LMNA (0.45) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL5284577 0.75 LMNA (0.35) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL5293915 0.75 HTR2A (0.45) LMNAHTR2ACHRM2HTR1AADRA2A
SCHEMBL5305808 0.73 HTR2A (0.51) CYP3A4HTR2AKCNH2
SCHEMBL5285257 0.72 HTR2A (0.54) LMNACYP3A4HTR2AADRA2AADORA3

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