SCHEMBL8540436

SCHEMBL8540436

Cc1ccc(C(C)C)c(C(C(=O)O)C(O)=S)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TRPA1 O75762 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
SRC P12931 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8534778 0.83 FABP3 (0.44) TRPA1SRCKDM4EALDH1A1
SCHEMBL6950812 0.79 SRC (0.43) LMNASLC6A2HTR2BSRCL3MBTL1
SCHEMBL29484749 0.73 TRPA1 (0.62) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL23707000 0.73 TRPA1 (0.62) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL8706660 0.71 SRC (0.49) LMNASRCALDH1A1TDP1
SCHEMBL10172892 0.71 CSNK2A1 (0.59) LMNATRPA1CHRM1SLC6A2ADRA1A
Thymol SCHEMBL28080455 0.70 TRPA1 (0.78) LMNATRPA1CHRM1SLC6A2ADRA1A
Thymol SCHEMBL28150359 0.69 TRPA1 (0.84) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL6644184 0.69 CSNK2A1 (0.52) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL8538429 0.69 ACP3 (0.47) LMNASRC

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed