SCHEMBL14174935

SCHEMBL14174935

CC(C)C(=O)OCCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TSHR P16473 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
SCHEMBL4310725 0.85 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4
SCHEMBL1352910 0.79 — —
SCHEMBL92977 0.79 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4TSHR
SCHEMBL18722695 0.77 TSHR (0.60) ALDH1A1TP53CYP3A4SMN1; SMN2TSHR
SCHEMBL17208750 0.76 NAAA (0.44) ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL15316322 0.76 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4
SCHEMBL26136897 0.75 SPHK2 (0.37) —
SCHEMBL19901455 0.75 MGLL (0.44) ALDH1A1TP53CYP3A4
SCHEMBL12413764 0.75 MAPT (0.35) TP53SMN1; SMN2
SCHEMBL8576422 0.75 TP53 (0.41) ALDH1A1TP53CYP3A4MEN1KMT2A

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-7390595-B2 Method of preparing a crosslinked polymer in an electrolyte composition FUJIFILM CORPORATION (JP) 2008-06-24 — — US disclosed
Send feedback