SCHEMBL28070459

SCHEMBL28070459

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MGLL Q99685 1/20 0.33
TSHR P16473 3/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL28216921 0.87 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL27916617 0.84 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4TSHR
SCHEMBL5583484 0.84 ALDH1A1 (0.78) ALDH1A1TP53CYP3A4MGLLTSHR
Ethylene SCHEMBL28501951 0.83 ALDH1A1 (0.76) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL28107116 0.82 ALDH1A1 (0.51) ALDH1A1TP53CYP3A4MGLLTSHR
Ethylene SCHEMBL20476765 0.82 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL573178 0.81 ALDH1A1 (0.64) ALDH1A1TP53CYP3A4MGLLTSHR
Butanol SCHEMBL18109940 0.81 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL28175702 0.81 ALDH1A1 (0.63) ALDH1A1TP53CYP3A4MGLLTSHR
Ethylene SCHEMBL28010147 0.80 ALDH1A1 (0.62) ALDH1A1TP53CYP3A4MGLLTSHR

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