SCHEMBL28107881

SCHEMBL28107881

COC(=O)C(C)=C(O)CC1CO1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
EGLN1 Q9GZT9 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 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
SCHEMBL9845225 0.83 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4
SCHEMBL27830953 0.83 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4
SCHEMBL27887632 0.82 KMT2A (0.43) ALDH1A1TP53
SCHEMBL28823966 0.76 ALDH1A1 (0.41) ALDH1A1EGLN1TP53CYP3A4
SCHEMBL27955085 0.76 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4
Methacrylic Acid SCHEMBL27829917 0.74 ALDH1A1 (0.49) ALDH1A1
SCHEMBL28806123 0.74 ALDH1A1 (0.49) ALDH1A1
SCHEMBL674835 0.73 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4
Methyl Alcohol SCHEMBL29284825 0.72 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4
SCHEMBL28122792 0.72 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4

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-105008419-B Photochromic curable composition, cured product thereof, and laminate containing same 株式会社德山 2016-10-12 CN disclosed