SCHEMBL21935537

SCHEMBL21935537

O=C(c1cc(O)c(O)c(O)c1)c1c(O)ccc(O)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.64
FASN P49327 2/20 0.52
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
FUT7 Q11130 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TP53 P04637 1/20 0.50
CA3 P07451 1/20 0.50
SELL P14151 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL21935546 0.86 HDAC1 (0.47) HDAC1FASNKDM4ELMNATDP1
SCHEMBL19003452 0.84 CA12 (0.56) HDAC1KDM4EMAPTCA12CA1
SCHEMBL21935540 0.83 SELL (0.44) HDAC1LMNATDP1ALDH1A1CA12
SCHEMBL21935553 0.80 HDAC1 (0.47) HDAC1FASNKDM4ELMNATDP1
SCHEMBL352369 0.80 KDM4E (0.65) HDAC1FASNKDM4ELMNATDP1
Exifone SCHEMBL273096 0.78 HDAC1 (1.00) HDAC1FASNKDM4ELMNATDP1
Exifone SCHEMBL29375026 0.78 HDAC1 (1.00) HDAC1FASNKDM4ELMNATDP1
SCHEMBL21935531 0.78 KDM4E (0.56) HDAC1FASNKDM4ELMNATDP1
SCHEMBL9187267 0.77 LMNA (0.61) KDM4ELMNATDP1MAPTALDH1A1
SCHEMBL21935558 0.77 CA12 (0.58) HDAC1FASNKDM4EMAPTCA12

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