SCHEMBL21935545

SCHEMBL21935545

O=C(c1cc(O)cc(O)c1O)c1c(O)ccc(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
CES2 O00748 1/20 0.41
FASN P49327 1/20 0.41
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 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
SCHEMBL21936683 0.88 FASN (0.46) HDAC1CES2FASNSELLSELP
SCHEMBL21935910 0.84 FASN (0.58) HDAC1CES2FASNCA12CA1
SCHEMBL1949538 0.82 HDAC1 (0.63) HDAC1CES2SELLSELPCA12
SCHEMBL21936685 0.82 FASN (0.47) HDAC1CES2FASNCA12CA1
SCHEMBL21935554 0.82 HDAC1 (0.53) HDAC1SELLSELPALDH1A1MEN1
SCHEMBL21935561 0.82 FASN (0.45) HDAC1CES2FASNCA12CA1
SCHEMBL21935556 0.82 FASN (0.56) HDAC1FASNALDH1A1TSHRMEN1
SCHEMBL21935565 0.81 NPC1 (0.48) HDAC1CES2FASNSELLSELP
SCHEMBL21935544 0.79 HDAC1 (0.59) HDAC1SELLSELPALDH1A1MEN1
SCHEMBL21935546 0.79 HDAC1 (0.47) HDAC1FASNSELLSELPCA12

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-10894887-B2 Composition for forming film protecting against aqueous hydrogen peroxide solution NISSAN CHEMICAL CORPORATION (JP) 2021-01-19 US disclosed
US-20200131376-A1 COMPOSITION FOR FORMING FILM PROTECTING AGAINST AQUEOUS HYDROGEN PEROXIDE SOLUTION NISSAN CHEMICAL CORPORATION (JP) 2020-04-30 US disclosed