SCHEMBL22472218

SCHEMBL22472218

C=CC(=O)Oc1ccc(C(=C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.52
ABAT P80404 1/20 0.52
THRB P10828 2/20 0.49
ELANE P08246 2/20 0.46
PARP10 Q53GL7 1/20 0.43
MAPT P10636 4/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.40
CYP19A1 P11511 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39

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
SCHEMBL140760 0.90 THRB (0.56) ALDH5A1ABATTHRBELANEPARP10
SCHEMBL10015752 0.87 ALDH5A1 (0.50) ALDH5A1ABATTHRBELANEPARP10
SCHEMBL18608266 0.87 ALDH5A1 (0.50) ALDH5A1ABATTHRBELANEPARP10
SCHEMBL14370491 0.87 ALDH5A1 (0.50) ALDH5A1ABATTHRBELANEPARP10
Hydroquinone SCHEMBL28396105 0.87 CA2 (0.57) ALDH5A1ABATTHRBELANEPARP10
SCHEMBL16429576 0.87 ALDH5A1 (0.50) ALDH5A1ABATTHRBELANEPARP10
SCHEMBL28271336 0.85 ELANE (0.50) THRBELANEPARP10MAPTPKM
SCHEMBL824857 0.85 THRB (0.51) ALDH5A1ABATTHRBELANEMAPT
Methoxymethane SCHEMBL9576531 0.85 THRB (0.56) ALDH5A1ABATTHRBELANEMAPT
SCHEMBL10015751 0.83 SENP1 (0.50) ALDH5A1ABATTHRBELANEPARP10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11162147-B2 Apparatuses and methods for detecting nucleic acids ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-11-02 US disclosed
WO-2020196695-A1 SHRINKING FLUORESCENT GEL, ANALYTE CONCENTRATION MEASUREMENT METHOD, TESTING KIT, AND TESTING DEVICE 積水化学工業株式会社 2020-10-01 WO disclosed