Sugi Predict

Sugi Predict / Compounds / SCHEMBL5690987

SCHEMBL5690987

SCHEMBL5690987

C=CC(=O)OCCC(C)OC(=O)C=C.C=CC(=O)OCCCC(OC(=O)C=C)C(O)CO

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TP53 P04637 3/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ THRB P10828 1/20 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
SCHEMBL8565036 0.82 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL262349 0.82 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL6731836 0.77 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30190367 0.76 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10867522 0.76 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL31636154 0.76 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL29845548 0.76 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL12473420 0.74 — —
SCHEMBL1405779 0.74 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5838686 0.74 TSHR (0.31) TSHRHPGDALDH1A1CYP3A4TP53

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
EP-1388762-B1 Black toner CANON KK (JP) 2006-05-03 — — EP disclosed