SCHEMBL9854466

SCHEMBL9854466

COC(OC)C(=Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MCL1 Q07820 1/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.39
APEX1 P27695 1/20 0.38

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
SCHEMBL28352549 0.86 MEN1 (0.45) AKR1C3MEN1KMT2ARECQL
SCHEMBL689448 0.79 AKR1C3 (0.55) AKR1C3AKR1C1MEN1KMT2AHTT
SCHEMBL22634102 0.79 AKR1C3 (0.55) AKR1C3AKR1C1MEN1KMT2AHTT
SCHEMBL1563519 0.76 AKR1C3 (0.52) AKR1C3AKR1C1MEN1KMT2AHTT
SCHEMBL563697 0.75 AKR1C3 (0.50) AKR1C3AKR1C1MEN1KMT2AHTT
SCHEMBL2939069 0.75 ALDH1A1 (0.45) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL3672023 0.75 AKR1C3 (0.50) AKR1C3AKR1C1MEN1KMT2AHTT
SCHEMBL3226792 0.75 AKR1C3 (0.55) AKR1C3AKR1C1MEN1KMT2AHTT
SCHEMBL2939067 0.75 ALDH1A1 (0.45) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL28419365 0.74 AKR1C3 (0.50) AKR1C3AKR1C1MEN1KMT2AHTT

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
EP-0418917-A2 Monomers and polymers containing acetal and aldehyde groups National Starch and Chemical Investment Holding Corporation (US) 1991-03-27 EP claimed