SCHEMBL453091

SCHEMBL453091

C=C(C)C(=O)OCCOC(=O)C(=C)C.O=CC1CO1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
THRB P10828 1/20 0.49
TSHR P16473 4/20 0.43
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
EPHX1 P07099 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8094497 0.81 ALDH1A1 (0.89) ALDH1A1THRBTSHRCA1CA2
Ethylene SCHEMBL21750074 0.79 ALDH1A1 (0.86) ALDH1A1THRBTSHRCA1CA2
SCHEMBL16442919 0.78 ALDH1A1 (0.62) ALDH1A1THRBTSHRCA1CA2
SCHEMBL673217 0.78 ALDH1A1 (0.72) ALDH1A1THRBTSHRCA1CA2
SCHEMBL9615822 0.77 ALDH1A1 (0.56) ALDH1A1THRBTSHRCA1CA2
SCHEMBL1683307 0.77 ALDH1A1 (0.70) ALDH1A1THRBTSHRCA1CA2
SCHEMBL28202394 0.77 ALDH1A1 (0.70) ALDH1A1THRBTSHRCA1CA2
SCHEMBL6142874 0.77 THRB (0.74) ALDH1A1THRBTSHRCA1CA2
SCHEMBL15636 0.77 THRB (0.74) ALDH1A1THRBTSHRCA1CA2
Formic Acid SCHEMBL28907439 0.76 ALDH1A1 (0.86) ALDH1A1THRBTSHRCYP3A4TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148753-A1 PREPREG KUBOTA RESEARCH, INC. 2012-06-14 US claimed
US-20120148753-A1 PREPREG KUBOTA RESEARCH, INC. 2012-06-14 US disclosed
US-20120061013-A1 COMPOSITE ARTICLE AND METHOD OF MANUFACTURE KUBOTA MASANORI (US) 2012-03-15 US disclosed