SCHEMBL4128081

SCHEMBL4128081

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
SIGMAR1 Q99720 7/20 0.38
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARG P37231 3/20 0.33

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
SCHEMBL9852426 0.82 PPARG (0.50) TSHRALDH1A1CYP3A4TDP1TP53
SCHEMBL9487483 0.81 TSHR (0.44) THRBTSHRALDH1A1CYP3A4SIGMAR1
SCHEMBL9487207 0.81 TSHR (0.44) THRBTSHRALDH1A1CYP3A4SIGMAR1
SCHEMBL8835733 0.74 THRB (0.40) THRBALDH1A1
SCHEMBL9491600 0.74 TSHR (0.37) THRBTSHRALDH1A1CYP3A4SIGMAR1
SCHEMBL9487235 0.74 TSHR (0.37) THRBTSHRALDH1A1CYP3A4SIGMAR1
SCHEMBL9489836 0.74 TSHR (0.37) THRBTSHRALDH1A1CYP3A4SIGMAR1
SCHEMBL9486979 0.74 TSHR (0.37) THRBTSHRALDH1A1CYP3A4SIGMAR1
SCHEMBL9489461 0.71 CACNA1F (0.35) TSHRALDH1A1TP53PPARG
SCHEMBL10589792 0.70 MAPT (0.42) TSHRTDP1TP53PPARG

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