SCHEMBL29648948

SCHEMBL29648948

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TET2 Q6N021 1/20 0.33
TSHR P16473 3/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL30927588 0.95 USP2 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL37167 0.87 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30921633 0.86 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30921634 0.85 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30921635 0.84 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL10591032 0.83 TSHR (0.44) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1263184 0.83 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1733784 0.83 TET2 (0.44) TET2TSHRUSP2MAPTKDM4E
SCHEMBL2032533 0.82 TSHR (0.45) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1263585 0.82 TSHR (0.45) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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