SCHEMBL8679177

SCHEMBL8679177

C=C(C)C(=O)OCC(O)COC(=O)C(=C)C.C=C(C)C(=O)OCC1CCCO1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3945410 0.92 ALDH1A1 (0.50) ALDH1A1LMNAPOLBNPSR1TSHR
SCHEMBL36133 0.90 ALDH1A1 (0.67) ALDH1A1LMNAPOLBNPSR1KMT2A
SCHEMBL27848264 0.90 ALDH1A1 (0.67) ALDH1A1LMNAPOLBNPSR1KMT2A
Glycerin SCHEMBL10710321 0.89 ALDH1A1 (0.55) ALDH1A1LMNAPOLBNPSR1KMT2A
SCHEMBL28309955 0.89 ALDH1A1 (0.65) ALDH1A1LMNAPOLBNPSR1KMT2A
Tetrahydrofuran SCHEMBL28274651 0.87 ALDH1A1 (0.59) ALDH1A1LMNAPOLBNPSR1CYP1A2
Methacrylic Acid SCHEMBL5309818 0.86 ALDH1A1 (0.61) ALDH1A1LMNAPOLBNPSR1GAA
Alcohol SCHEMBL9065899 0.86 ALDH1A1 (0.61) ALDH1A1LMNAPOLBNPSR1GAA
SCHEMBL4612527 0.86 ALDH1A1 (0.65) ALDH1A1LMNAPOLB
SCHEMBL11219727 0.85 ALDH1A1 (0.59) ALDH1A1LMNAPOLBNPSR1KMT2A

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-5827923-A PROTECTIVE COATING COMPRISING SILICA SOL, A SILANETRIOL-CONTAINING ACRYLATE, AN ALKANEDIOL DIACRYLATE; A PHOTOINITIATOR AND A UNPOLYMERIZABLE TINTABLE ADDITIVE; OPTHALMALIC LENSES; ADHESION GENERAL ELECTRIC COMPANY (US) 1998-10-27 US disclosed