SCHEMBL6530905

SCHEMBL6530905

C=CCC(F)OC(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.38
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31

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
SCHEMBL11068883 0.78
SCHEMBL30661313 0.77 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30837420 0.77 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14780707 0.77
SCHEMBL6285624 0.75 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL42235 0.75 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28407507 0.74 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5965102 0.74
Trimethylammonium SCHEMBL1302569 0.74 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Dimethylamine SCHEMBL1302671 0.74 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4

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-20050014080-A1 Photoconductive members XEROX CORPORATION 2005-01-20 US claimed