SCHEMBL28849182

SCHEMBL28849182

CC1CCCC(C(=O)O)C1C(=O)OCC1CO1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.41
MGLL Q99685 2/20 0.35
PPM1B O75688 2/20 0.34
PTPN1 P18031 2/20 0.34
PPP1CC P36873 2/20 0.34
ACE P12821 1/20 0.33

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
SCHEMBL686967 0.94 TP53 (0.66) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL7019894 0.83 TP53 (0.77) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL27800908 0.83 TP53 (0.50) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL27821756 0.83 TP53 (0.58) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL27800948 0.82 TP53 (0.51) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL1644082 0.81 TP53 (0.58) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL27800869 0.80 TP53 (0.46) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL429427 0.79 TP53 (0.86) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL8050627 0.79 TP53 (0.74) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL27951389 0.79 TP53 (0.86) TP53CYP3A4ALDH1A1LMNAMGLL

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-107074759-A Sulfonium salt, photoacid generator, and photosensitive composition 东京应化工业株式会社 2017-08-18 CN disclosed