SCHEMBL9833240

SCHEMBL9833240

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 3/20 0.51
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
HSP90AA1 P07900 2/20 0.48
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9833813 0.86 ALDH1A1 (0.48) HTTMAPTLMNATSHRALDH1A1
SCHEMBL26227589 0.79 HTT (0.69) HTTMAPTLMNATSHRALDH1A1
SCHEMBL9832426 0.77 ALOX5 (0.71) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL11974036 0.77 HTT (0.71) HTTMAPTLMNATSHRALDH1A1
SCHEMBL26227594 0.77 HTT (0.71) HTTMAPTLMNATSHRALDH1A1
SCHEMBL6619997 0.76 HTT (0.65) HTTMAPTLMNATSHRALDH1A1
SCHEMBL5046326 0.76 HTT (0.65) HTTMAPTLMNATSHRALDH1A1
SCHEMBL9832912 0.75 ALOX5 (0.43) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL4444107 0.75 HTT (0.73) HTTMAPTLMNATSHRALDH1A1
SCHEMBL1327551 0.75 HTT (0.73) HTTMAPTLMNATSHRALDH1A1

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