SCHEMBL4421702

SCHEMBL4421702

CC(C)(C)OCc1ccccc1.COC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SLC6A2 P23975 2/20 0.40
MAOB P27338 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
CYP2D6 P10635 1/20 0.38
LTA4H P09960 1/20 0.38
TP53 P04637 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 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
SCHEMBL5016440 0.93 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL726130 0.93 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL3855220 0.87 TSHR (0.46) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL3325624 0.85 TSHR (0.44) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL3421331 0.83 TSHR (0.46) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL29456880 0.83 TSHR (0.46) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL648537 0.81 AGXT (0.39) TSHRIDO1AGXT
SCHEMBL10819593 0.81 IDO1 (0.55) IDO1AGXTTAAR1
SCHEMBL11625744 0.79 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL10940340 0.79 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2

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-7491773-B2 Halogenated polymers with new sequence distributions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-02-17 US claimed