SCHEMBL11797170

SCHEMBL11797170

Cc1ccc(C(C)C)c(Oc2cc(C(C)C)c(O)cc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
TRPA1 O75762 1/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
HTR2B P41595 1/20 0.56
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8999616 0.87 LMNA (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL29640497 0.83 LMNA (0.54) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL11043528 0.83 LMNA (0.54) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL31545975 0.78 LMNA (0.56) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL21095165 0.78 LMNA (0.56) LMNATRPA1CHRM1SLC6A2ADRA1A
Thymol SCHEMBL429156 0.76 TRPA1 (0.72) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL1494397 0.74 LMNA (0.55) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL29087264 0.74 HTR2A (0.51) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL6149689 0.74 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
Thymol SCHEMBL22165 0.73 LMNA (1.00) LMNATRPA1CHRM1SLC6A2ADRA1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966779-A SYMPATHOLYTIC WARNER-LAMBERT COMPANY (US) 1976-06-29 US disclosed