SCHEMBL5603137

SCHEMBL5603137

CC(C)c1cccc2c1[N]c1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
CYP1A2 P05177 3/20 0.36
GABRB2 P47870 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
HTR2B P41595 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL5601521 0.83 TSHR (0.43) CYP1A2TSHRTRPA1CYP2D6
SCHEMBL5601450 0.81 L3MBTL1 (0.35) TSHRTRPA1
SCHEMBL5602898 0.79 L3MBTL1 (0.31)
SCHEMBL5601540 0.78 MEN1 (0.31) KMT2A
SCHEMBL5602378 0.77 SOAT1 (0.32) ALDH1A1KMT2A
SCHEMBL5601408 0.77 SOAT1 (0.32) ALDH1A1KMT2A
SCHEMBL5603938 0.77 SOAT1 (0.32) ALDH1A1KMT2A
SCHEMBL5600724 0.77 SOAT1 (0.32) ALDH1A1KMT2A
SCHEMBL5603206 0.77 SOAT1 (0.32) ALDH1A1KMT2A
SCHEMBL5599908 0.77 SOAT1 (0.32) ALDH1A1KMT2A

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