SCHEMBL686293

SCHEMBL686293

Cc1cc(C)c(C=O)c(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.54
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MPI P34949 1/20 0.43
KMT2A Q03164 1/20 0.43
SRC P12931 2/20 0.42
TSHR P16473 1/20 0.39
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 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
SCHEMBL1929437 0.85 ERN1 (0.44) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL79252 0.85 ERN1 (0.44) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL29080243 0.84 ERN1 (0.44) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL28225789 0.82 ERN1 (0.42) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL11045347 0.82 ERN1 (0.42) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL29169368 0.82 ERN1 (0.42) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL14877416 0.78 ERN1 (0.56) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL604701 0.78 ALDH1A1 (0.41) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL1312151 0.78 ERN1 (0.56) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL15518933 0.76 ALDH1A1 (0.40) ERN1ALDH1A1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
EP-1724028-B1 METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND ASAHI CHEMICAL IND (JP) 2012-02-29 EP disclosed
US-7595093-B2 Condensed polycyclic aromatic compound thin film and method for preparing condensed polycyclic aromatic compound thin film ASAHI KASEI CORPORATION (JP) 2009-09-29 US disclosed
US-20070184574-A1 Condensed polycyclic aromatic compound thin film and method for preparing condensed polycyclic aromatic compound thin film ASAHI KASEI CORPORATION (JP) 2007-08-09 US disclosed
EP-1724028-A1 THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND, AND METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND Asahi Kasei Kabushiki Kaisha, Ltd. (JP) 2006-11-22 EP disclosed