Sugi Predict

Sugi Predict / Compounds / SCHEMBL6530911

SCHEMBL6530911

SCHEMBL6530911

C=CC(=O)OCCC=CF

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ TP53 P04637 3/20 0.59
▸ HIF1A Q16665 3/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ CYP3A4 P08684 2/20 0.54
▸ HPGD P15428 1/20 0.48
▸ THRB P10828 2/20 0.44
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4566185 0.88 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3416382 0.86 TSHR (0.64) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9176522 0.79 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL674235 0.79 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28446612 0.79 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9153653 0.79 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL462190 0.78 — —
SCHEMBL30584 0.78 — —
SCHEMBL7136406 0.78 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.77 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10

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