SCHEMBL818533

SCHEMBL818533

COC(=O)C1C=CC=CC(C)(C(=O)OC)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL816511 0.77 LMNA (0.35) ALDH1A1
SCHEMBL819042 0.77 SMN1; SMN2 (0.30)
SCHEMBL5347884 0.70 MEN1 (0.33)
SCHEMBL30142933 0.68 HTT (0.36) HTTALDH1A1
SCHEMBL21950864 0.68 HTT (0.36) HTTALDH1A1
SCHEMBL30142934 0.68 HTT (0.36) HTTALDH1A1
SCHEMBL14394185 0.66 GPR84 (0.34) ALDH1A1
SCHEMBL22042208 0.66 GPR84 (0.34) ALDH1A1
SCHEMBL2118565 0.66 GPR84 (0.34) ALDH1A1
SCHEMBL25870410 0.64 CYP3A4 (0.41) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed