SCHEMBL8942663

SCHEMBL8942663

CC(Oc1cccc(Oc2ccccc2)c1)C(=O)N(O)CCNC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.46
EPOR P19235 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
KDM4E B2RXH2 5/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGES O14684 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
CTSK P43235 1/20 0.41
PTGS1 P23219 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8782723 0.84 ALOX5 (0.49) ALOX5HTR1DHTR1BKDM4ELMNA
SCHEMBL8942292 0.79 KDM4E (0.54) ALOX5EPORHTR1DHTR1BKDM4E
SCHEMBL8942608 0.77 FDFT1 (0.48) ALOX5PTGES
SCHEMBL8942484 0.74 PARP10 (0.50) ALOX5RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL8942402 0.74 EPOR (0.46) ALOX5EPORLMNAMAPTMEN1
SCHEMBL8942395 0.73 ALOX5 (0.47) ALOX5ALDH1A1
SCHEMBL8942585 0.73 MEN1 (0.42) ALOX5KDM4ELMNARAB9ATDP1
SCHEMBL8942429 0.73 PARP10 (0.45) LMNAALDH1A1MEN1KMT2A
SCHEMBL8942657 0.72 ALOX5 (0.56) ALOX5KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL8782626 0.72 KDM4E (0.61) ALOX5HTR1DHTR1BKDM4ELMNA

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-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed