SCHEMBL28175702

SCHEMBL28175702

C=C(C)C(=O)OCCC.C=CC(=O)OCC1CO1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.41
THRB P10828 2/20 0.40
TP53 P04637 3/20 0.38
CYP3A4 P08684 2/20 0.38
MGLL Q99685 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL21196521 0.95 ALDH1A1 (0.68) ALDH1A1TSHRHPGDTHRBTP53
Ethylene SCHEMBL20476768 0.93 ALDH1A1 (0.66) ALDH1A1TSHRHPGDTHRBTP53
SCHEMBL11421354 0.92 ALDH1A1 (0.60) ALDH1A1TSHRHPGDTHRBTP53
SCHEMBL28208742 0.92 ALDH1A1 (0.57) ALDH1A1TSHRHPGDTHRBTP53
Ethylene SCHEMBL20476766 0.91 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTHRBTP53
SCHEMBL5583484 0.90 ALDH1A1 (0.78) ALDH1A1TSHRHPGDTP53CYP3A4
SCHEMBL28216920 0.89 ALDH1A1 (0.63) ALDH1A1TSHRHPGDTHRBTP53
SCHEMBL4525973 0.89 ALDH1A1 (0.63) ALDH1A1TSHRHPGDTHRBTP53
Ethylene SCHEMBL28501951 0.89 ALDH1A1 (0.76) ALDH1A1TSHRHPGDTHRBTP53
SCHEMBL28098394 0.88 ALDH1A1 (0.61) ALDH1A1TSHRHPGDTHRBTP53

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
CN-104423700-B Window substrate and the touch panel with the window substrate 东友精细化工有限公司 2017-09-22 CN disclosed