SCHEMBL5602137

SCHEMBL5602137

CCCC(C)c1cccc2c1[N]c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30
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
SCHEMBL5601838 0.91 TSHR (0.31) TSHRALDH1A1
SCHEMBL5600509 0.90 PPARG (0.31) TSHRALDH1A1
SCHEMBL5601221 0.88 PPARG (0.33) ALDH1A1
SCHEMBL5600989 0.88 PPARG (0.33) ALDH1A1
SCHEMBL5600984 0.88 PPARG (0.33) ALDH1A1
SCHEMBL5603221 0.88 PPARG (0.33) ALDH1A1
SCHEMBL5601725 0.88 PPARG (0.33) ALDH1A1
SCHEMBL5601848 0.88 PPARG (0.33) ALDH1A1
SCHEMBL5600727 0.87 TSHR (0.46) TSHRALDH1A1
SCHEMBL5601783 0.80 GABRA1 (0.39) TSHR

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-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed