SCHEMBL28070458

SCHEMBL28070458

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 7/20 0.40
HPGD P15428 1/20 0.39
CYP3A4 P08684 2/20 0.38
TP53 P04637 3/20 0.36
THRB P10828 1/20 0.35
MGLL Q99685 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL28216920 0.92 ALDH1A1 (0.63) ALDH1A1TSHRHPGDCYP3A4TP53
SCHEMBL11421354 0.90 ALDH1A1 (0.60) ALDH1A1TSHRHPGDCYP3A4TP53
SCHEMBL11229320 0.89 ALDH1A1 (0.53) ALDH1A1TSHRHPGDCYP3A4TP53
Ethylene SCHEMBL20476766 0.89 ALDH1A1 (0.58) ALDH1A1TSHRHPGDCYP3A4TP53
SCHEMBL28235075 0.89 ALDH1A1 (0.58) ALDH1A1TSHRHPGDCYP3A4TP53
SCHEMBL31144810 0.88 ALDH1A1 (0.66) ALDH1A1TSHRHPGDCYP3A4TP53
SCHEMBL15674124 0.88 ALDH1A1 (0.52) ALDH1A1TSHRHPGDCYP3A4THRB
SCHEMBL5583484 0.88 ALDH1A1 (0.78) ALDH1A1TSHRHPGDCYP3A4TP53
Acrylic Acid Ethyl Ester SCHEMBL11217002 0.88 ALDH1A1 (0.57) ALDH1A1TSHRHPGDCYP3A4TP53
SCHEMBL11230428 0.87 ALDH1A1 (0.57) ALDH1A1TSHRHPGDCYP3A4TP53

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-105960326-A Cyclic olefin film, optical film, conductive film, substrate film for printed electronics, barrier film, touch panel, polarizing plate, and display device 富士胶片株式会社 2016-09-21 CN disclosed