SCHEMBL27501899

SCHEMBL27501899

Cc1ccc(C(C)C)c(O[SH](=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 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
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29527491 0.78 LMNA (0.54) LMNAKDM4EALDH1A1TDP1TRPA1
SCHEMBL9463062 0.78 LMNA (0.54) LMNAKDM4EALDH1A1TDP1TRPA1
SCHEMBL29640497 0.78 LMNA (0.54) LMNAKDM4EALDH1A1TDP1TRPA1
SCHEMBL11043528 0.78 LMNA (0.54) LMNAKDM4EALDH1A1TDP1TRPA1
SCHEMBL30033430 0.76 ACHE (0.58) LMNAALDH1A1TRPA1CHRM1SLC6A2
SCHEMBL27365318 0.76 CYP2C9 (0.46) LMNAALDH1A1TDP1CHRM1ADRA1A
SCHEMBL17629451 0.76 ACHE (0.58) LMNAALDH1A1TRPA1CHRM1SLC6A2
SCHEMBL196752 0.76 ACHE (0.58) LMNAALDH1A1TRPA1CHRM1SLC6A2
Methoxymethane SCHEMBL901280 0.75 ACHE (0.56) LMNAALDH1A1TDP1TRPA1CHRM1
SCHEMBL19308590 0.75 LMNA (0.50) LMNAKDM4EALDH1A1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1894420-A Method and device for determining if a product is in condition for use or consumption CRYOLOG S A (FR) 2007-01-10 CN claimed
CN-102227316-B Lithographic printing plate precursor, lithographic printing plate making method and polymerizable monomer FUJI PHOTO FILM CO LTD 2014-04-02 CN disclosed
CN-102227316-A Lithographic printing plate precursor, lithographic printing plate making method and polymerizable monomer FUJIFILM CORP 2011-10-26 CN disclosed
CN-101218546-A Pattern forming method FUJIFILM CORP (JP) 2008-07-09 CN disclosed
CN-100340921-C Photosensitive composition of infrared sensitive FUJI PHOTO FILM CO LTD (JP) 2007-10-03 CN disclosed
CN-1894420-A Method and device for determining if a product is in condition for use or consumption CRYOLOG S A (FR) 2007-01-10 CN disclosed
CN-1445608-A Photosensitive composition of infrared sensitive FUJI PHOTO FILM CO LTD (JP) 2003-10-01 CN disclosed
CN-1030717-C Removing and recovering plant polyphenols MEMTEC LTD (AU) 1996-01-17 CN disclosed
CN-1107885-A Removing and recovering plant polyphenols MEMTEC LTD (AU) 1995-09-06 CN disclosed
CN-86105257-A Removal and recovery of plant polyphenols 1988-04-13 CN disclosed