SCHEMBL9833813

SCHEMBL9833813

CCOC(=O)c1ccc(CCN(O)C(N)=O)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
KDM4E B2RXH2 5/20 0.48
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.48
TLR2 O60603 1/20 0.48
NSD2 O96028 1/20 0.48
PKM P14618 1/20 0.48
MPI P34949 1/20 0.48
GRK6 P43250 1/20 0.48
RECQL P46063 1/20 0.48
TLR1 Q15399 1/20 0.48
TLR6 Q9Y2C9 1/20 0.48
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 6/20 0.46

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
SCHEMBL9833240 0.86 HTT (0.58) ALDH1A1KDM4EMAPTL3MBTL1POLB
SCHEMBL13064782 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTL3MBTL1POLB
SCHEMBL9832426 0.78 ALOX5 (0.71) ALDH1A1KDM4EMAPTPOLBPKM
SCHEMBL2181967 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTL3MBTL1POLB
SCHEMBL853606 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTL3MBTL1POLB
SCHEMBL151035 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTL3MBTL1POLB
SCHEMBL8814587 0.76 ALOX5 (0.59) ALDH1A1KDM4EMAPTALOX5SMN1; SMN2
Hydrochloric Acid SCHEMBL245313 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTL3MBTL1POLB
SCHEMBL2093655 0.75 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTL3MBTL1POLB
SCHEMBL6240522 0.75 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388429-A4 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS 1991-08-21 EP disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed