SCHEMBL9769794

SCHEMBL9769794

O=C(O)c1c(O)cccc1-c1cccc(C2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.55
HDAC4 P56524 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
ACMSD Q8TDX5 2/20 0.50
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SERPINE1 P05121 1/20 0.42
PPIA P62937 1/20 0.38
PTPN5 P54829 3/20 0.38
PTPN2 P17706 1/20 0.38
KMT2A Q03164 3/20 0.38
DHODH Q02127 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 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
SCHEMBL7857830 0.78 KMO (0.51) KMOHDAC4HDAC2HDAC8ACMSD
SCHEMBL9769810 0.77 ACMSD (0.71) KMOHDAC4HDAC2HDAC8ACMSD
SCHEMBL3264678 0.74 CA12 (0.64) HDAC4HDAC2HDAC8ACMSDCA12
Hydrogen Peroxide SCHEMBL11391460 0.73 KMO (0.71) KMOHDAC4HDAC2HDAC8ACMSD
2-Phenylphenol SCHEMBL28139423 0.73 ALDH1A1 (0.59) KMOHDAC4HDAC2HDAC8ACMSD
SCHEMBL4368940 0.73 FOLH1 (0.60) KMOCA12CA1CA2CA7
SCHEMBL778007 0.72 KMO (0.56) KMOHDAC4HDAC2HDAC8ACMSD
SCHEMBL28344798 0.72 HDAC4 (0.48) KMOHDAC4HDAC2HDAC8ACMSD
SCHEMBL10046425 0.72 CA12 (0.80) CA12CA1CA2CA7CA9
SCHEMBL21471492 0.71 HDAC4 (0.96) KMOHDAC4HDAC2HDAC8ACMSD

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
US-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed