SCHEMBL5328939

SCHEMBL5328939

CCC(c1ccccc1)[n+]1ccc(C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 3/20 0.39
TRPA1 O75762 1/20 0.36
TAAR1 Q96RJ0 4/20 0.35
HTR2A P28223 3/20 0.35
HRH1 P35367 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SMPD1 P17405 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL5282777 0.84 LMNA (0.45) LMNATRPA1TAAR1HTR2AHRH1
SCHEMBL5292306 0.83 LMNA (0.41) LMNATAAR1HTR2AHRH1TDP1
SCHEMBL5302177 0.83 TP53 (0.48) CRHBPCRHR2LMNATAAR1HTR2A
SCHEMBL5332811 0.82 LMNA (0.37) CRHBPCRHR2LMNATRPA1TAAR1
SCHEMBL5287867 0.80 LMNA (0.38) CRHBPCRHR2LMNATRPA1TAAR1
SCHEMBL5284577 0.80 LMNA (0.35) LMNATRPA1TAAR1HTR2AHRH1
SCHEMBL5299927 0.79 HTR2A (0.41) LMNATAAR1HTR2AHRH1CHRM2
SCHEMBL124484 0.77 ALDH1A1 (0.43) LMNAKMT2APOLBMEN1TSHR
SCHEMBL5299764 0.76 HTR2A (0.49) HTR2ACHRM2HTR1AADRA2ACHRM1
SCHEMBL8768344 0.76 LMNA (0.35) LMNATAAR1HTR2AHRH1TDP1

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