SCHEMBL5603102

SCHEMBL5603102

CC(c1ccccc1)C1CCCC2=C1[N]c1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
L3MBTL3 Q96JM7 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
SCHEMBL5603153 0.86 NR1I2 (0.30)
SCHEMBL5600266 0.81 ACE (0.33) ALDH1A1
SCHEMBL5600977 0.77 SIGMAR1 (0.31)
SCHEMBL5601475 0.76 SIGMAR1 (0.30)
SCHEMBL5604320 0.75 NR5A2 (0.31)
SCHEMBL5603159 0.75 NR5A2 (0.31)
SCHEMBL5603474 0.75 NR5A2 (0.31)
SCHEMBL5603164 0.75 NR5A2 (0.31)
SCHEMBL5603505 0.75 NR5A2 (0.31)
SCHEMBL5600825 0.75 NR5A2 (0.31)

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 1 patent. 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