SCHEMBL4128084

SCHEMBL4128084

C=CC(=O)OCCCCOC(=O)C1(O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.34
AKR1B10 O60218 2/20 0.32
AKR1B1 P15121 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL27999626 0.84 TSHR (0.42) THRBTSHRALDH1A1CYP3A4AKR1B10
SCHEMBL9852431 0.84 TSHR (0.43) TSHRALDH1A1CYP3A4TP53HSD17B10
SCHEMBL27694521 0.82 CYP3A4 (0.39) TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL9487209 0.81 TSHR (0.40) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL27812824 0.81 TSHR (0.40) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL9487489 0.81 TSHR (0.40) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL17893001 0.79 TSHR (0.39) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL27812818 0.79 CYP3A4 (0.36) THRBTSHRALDH1A1CYP3A4
SCHEMBL3623072 0.78 OPRM1 (0.40) TSHRALDH1A1HPGD
SCHEMBL27999808 0.77 ALDH1A1 (0.35) ALDH1A1AKR1B10AKR1B1

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-20090079913-A1 Optically anisotropic film, polarizing film, producing process thereof, and application use thereof FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed