SCHEMBL8653229

SCHEMBL8653229

O=C(CCCCCC(=O)Oc1cc(O)cc(O)c1)Oc1cc(O)cc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
CNR1 P21554 7/20 0.45
CNR2 P34972 7/20 0.45
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ALB P02768 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
VCAM1 P19320 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL8655657 1.00 KMT2A (0.47) KMT2ACNR1CNR2PRSS1PRSS2
SCHEMBL8650698 1.00 KMT2A (0.47) KMT2ACNR1CNR2PRSS1PRSS2
SCHEMBL8652133 1.00 KMT2A (0.47) KMT2ACNR1CNR2PRSS1PRSS2
SCHEMBL8651624 1.00 KMT2A (0.47) KMT2ACNR1CNR2PRSS1PRSS2
SCHEMBL8653974 1.00 KMT2A (0.47) KMT2ACNR1CNR2PRSS1PRSS2
SCHEMBL8653228 1.00 KMT2A (0.47) KMT2ACNR1CNR2PRSS1PRSS2
SCHEMBL8653636 1.00 KMT2A (0.47) KMT2ACNR1CNR2PRSS1PRSS2
SCHEMBL8652802 1.00 KMT2A (0.47) KMT2ACNR1CNR2PRSS1PRSS2
SCHEMBL8654408 0.98 KMT2A (0.48) KMT2ACNR1CNR2PRSS1PRSS2
SCHEMBL8651557 0.94 KMT2A (0.44) KMT2ACNR1CNR2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7101907-A None JP disclosed
EP-0688759-B1 Alpha-resorcylic acid ester derivatives and recording materials incorporating them FUJI PHOTO FILM CO LTD (JP) 1998-10-07 EP disclosed
US-5693374-A Alpha-resorcyclic acid ester derivatives and recording materials using the same FUJI PHOTO FILM CO., LTD. (JP) 1997-12-02 US disclosed
EP-0688759-A1 Alpha-resorcylic acid ester derivatives and recording materials incorporating them FUJI PHOTO FILM CO., LTD. (JP) 1995-12-27 EP disclosed
JP-H07101907-A ALPHA-RESORCYLIC ESTER DERIVATIVE AND RECORDING MATERIAL USING THE SAME FUJI PHOTO FILM CO LTD 1995-04-18 JP disclosed