SCHEMBL5835582

SCHEMBL5835582

CCc1c(C)cc(C)c([C]=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL28381145 0.82 PGK1 (0.38) PGK1PGK2KDM4E
SCHEMBL28166915 0.77 PGK1 (0.46) PGK1PGK2HPGDHSD17B10
SCHEMBL1313255 0.75 CYP3A4 (0.30)
SCHEMBL9628918 0.72 PGK1 (0.38) PGK1PGK2
SCHEMBL9712541 0.71 PGK1 (0.30) PGK1PGK2
SCHEMBL1311844 0.69 CYP3A4 (0.32) PGK1PGK2
SCHEMBL28350464 0.69 PGK1 (0.35) PGK1PGK2ALDH1A1ALOX15HSD17B10
SCHEMBL28347480 0.69 PGK1 (0.40) PGK1PGK2ALDH1A1ALOX15HSD17B10
SCHEMBL28797158 0.67 SLC11A2 (0.39) PGK1PGK2
SCHEMBL13753712 0.67 ESR1 (0.41) PGK1PGK2KDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3389578-A1 WOUND CLOSURE COMPOSITIONS AND METHOD Rousseau Research, Inc. (US) 2018-10-24 EP disclosed
WO-2017106573-A1 WOUND CLOSURE COMPOSITIONS AND METHOD ROUSSEAU RESEARCH, INC. (US) 2017-06-22 WO disclosed
US-7081485-B2 Non-volatile dental compositions containing multifunctional acrylate compounds and lacking an oxygen-inhibited layer BISCO, INC. (US) 2006-07-25 US disclosed
US-20050288387-A1 Acrylate dental compositions with improved viscosity and storage odor BISCO, INC. 2005-12-29 US disclosed
US-6759096-B2 MULTILAYER; BACKING, INK LAYER AND CURED OVERCOATINGS; PHOTOPOLYMERS CONGOLEUM CORPORATION 2004-07-06 US disclosed