SCHEMBL2028228

SCHEMBL2028228

COc1ccccc1C(c1ccccc1)(c1ccc[nH]1)c1ccccc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CYP1A1 P04798 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ AHR P35869 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ DBH P09172 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL29509514 0.89 ESR1 (0.38) CA1CA2CYP1A1CYP1A2CYP2D6
SCHEMBL22301846 0.89 ESR1 (0.38) CA1CA2CYP1A1CYP1A2CYP2D6
SCHEMBL27965943 0.81 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL22301020 0.80 ESR1 (0.35) CA1CA2CA4ALDH1A1MEN1
SCHEMBL22301019 0.80 ESR1 (0.35) CA1CA2CA4ALDH1A1MEN1
SCHEMBL22301845 0.79 HTT (0.31) HTT
SCHEMBL2028230 0.78 KIF11 (0.43) CA1CA2CA7CA9CA12
SCHEMBL15669154 0.77 KCNN4 (0.35) ALDH1A1TSHR
SCHEMBL788138 0.77 KCNN4 (0.35) ALDH1A1TSHR
SCHEMBL22301889 0.76 ALDH1A1 (0.39) ALDH1A1HTTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956011-B2 Materials and methods for the photodirected synthesis of oligonucleotide arrays THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2011-06-07 — — US disclosed
US-20090270279-A1 Materials and Methods for the Photodirected Synthesis of Oligonucleotide Arrays THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2009-10-29 — — US disclosed
WO-2006117556-A2 MATERIALS AND METHODS FOR THE PHOTODIRECTED SYNTHESIS OF OLIGONUCLEOTIDE ARRAYS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2006-11-09 — — WO disclosed
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