SCHEMBL5332811

SCHEMBL5332811

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
TAAR1 Q96RJ0 4/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TRPA1 O75762 1/20 0.34
HTR2A P28223 2/20 0.33
HRH1 P35367 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SMPD1 P17405 1/20 0.33
DRD1 P21728 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
SCHEMBL5287867 0.84 LMNA (0.38) LMNATAAR1CRHBPCRHR2TRPA1
SCHEMBL5295984 0.83 LMNA (0.41) LMNAHTR2AHRH1KMT2APOLB
SCHEMBL5328939 0.82 CRHBP (0.40) LMNATAAR1CRHBPCRHR2TRPA1
SCHEMBL5293853 0.81 TP53 (0.47) LMNACRHBPCRHR2TRPA1HTR2A
SCHEMBL5282777 0.81 LMNA (0.45) LMNATAAR1TRPA1HTR2AHRH1
SCHEMBL5284577 0.80 LMNA (0.35) LMNATAAR1TRPA1HTR2AHRH1
SCHEMBL5301505 0.79 TP53 (0.35) LMNAHTR2APOLBSLC6A2SLC6A4
SCHEMBL13954042 0.78 HDAC8 (0.45) LMNATRPA1KMT2ASLC6A2SLC6A4
SCHEMBL123905 0.78 KMT2A (0.44) LMNAMEN1KMT2APOLBTSHR
SCHEMBL5305643 0.76 HTR2A (0.42) HTR2ACHRM2HTR1AADRA2ACHRM1

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