SCHEMBL10089367

SCHEMBL10089367

CC(C)Cc1cc(CSc2ccccc2SCc2cc(C(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
DNM1 Q05193 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
SCHEMBL10089385 0.90 CYP2D6 (0.33) ALDH1A1HPGDDNM1
SCHEMBL10089389 0.82 CYP2D6 (0.35) ALDH1A1
SCHEMBL10089353 0.78 CYP2D6 (0.34) ALDH1A1HPGDDNM1
SCHEMBL10089434 0.76 ALDH1A1 (0.36) ALDH1A1HPGD
SCHEMBL14702256 0.76 CYP2C19 (0.38) ALDH1A1HPGDDNM1
SCHEMBL5035121 0.76 CYP2D6 (0.38) ALDH1A1HPGDDNM1
SCHEMBL10089386 0.76 LMNA (0.33) ALDH1A1HPGDDNM1
SCHEMBL10089384 0.75 MAPT (0.38) ALDH1A1HPGD
SCHEMBL15912544 0.75 CYP2C19 (0.34) ALDH1A1HPGD
SCHEMBL14773892 0.74 FOLH1 (0.35) DNM1

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-8383753-B2 Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-02-26 US disclosed
US-20120029159-A1 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-02 US disclosed