SCHEMBL6284319

SCHEMBL6284319

C=CC(=O)OC(C)(I)Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.40
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
AKT1 P31749 2/20 0.34
TGM2 P21980 1/20 0.32
HIF1A Q16665 1/20 0.32
THRA P10827 1/20 0.31
RIPK1 Q13546 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
FFAR1 O14842 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
SCHEMBL28662033 0.84 THRB (0.38) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL285817 0.79 THRB (0.38) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL285117 0.75 THRB (0.50) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL3169549 0.73 CYP2C19 (0.46) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL285778 0.72 THRB (0.47) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL30887689 0.71 CYP2C19 (0.44) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL4596471 0.71 ALDH1A1 (0.48) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL27856981 0.71 CYP2C19 (0.44) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL285067 0.71 TSHR (0.49) THRBALDH1A1CYP3A4HIF1ATHRA
SCHEMBL285105 0.71 TSHR (0.49) THRBALDH1A1CYP3A4HIF1ATHRA

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-6842288-B1 Multilayer optical adhesives and articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-11 US disclosed