SCHEMBL5596352

SCHEMBL5596352

Cc1cc(C)c(P(C(C)O)C(C)O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
NOS2 P35228 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL2549706 0.70 CRHR1 (0.30)
SCHEMBL8346863 0.69 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL11785341 0.68 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL301709 0.68 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL11035532 0.67 SLC6A2 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL3530399 0.67 SLC6A2 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
Isopropyl Alcohol SCHEMBL11909735 0.67 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMAPT
Bromide SCHEMBL3679642 0.66 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
Iodide SCHEMBL9662368 0.66 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
Silver SCHEMBL31010581 0.66 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed