SCHEMBL29648980

SCHEMBL29648980

C=C(CC(F)(F)C(F)C(F)(F)F)C(=O)O.C=CC(=O)OCC(F)(F)C(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TET2 Q6N021 1/20 0.34
TSHR P16473 5/20 0.33
HSD17B10 Q99714 2/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 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
SCHEMBL372552 0.87 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
Methacrylic Acid SCHEMBL28908234 0.86 ALDH1A1 (0.40) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid SCHEMBL19995631 0.85 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid SCHEMBL19995627 0.84 ALOX15 (0.44) TET2HSD17B10ALOX15
SCHEMBL2913284 0.82 TET2 (0.47) TET2
SCHEMBL19995629 0.77
SCHEMBL29602206 0.76 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
Methacrylic Acid SCHEMBL28071829 0.76 TET2 (0.42) TET2
SCHEMBL30921633 0.74 ALDH1A1 (0.40) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11681046 0.74 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-111542348-B Material for intraocular lens 株式会社目立康 2022-07-05 CN disclosed