SCHEMBL9831460

SCHEMBL9831460

COC(=O)c1ccc(CCNO)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
TSHR P16473 3/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 2/20 0.51
HPGD P15428 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL11974036 0.83 HTT (0.71) HTTALDH1A1NPSR1RAB9ANPC1
SCHEMBL26227594 0.83 HTT (0.71) HTTALDH1A1NPSR1RAB9ANPC1
SCHEMBL2031143 0.82 HTT (0.76) HTTALDH1A1NPSR1RAB9ANPC1
SCHEMBL26227589 0.81 HTT (0.69) HTTALDH1A1NPSR1RAB9ANPC1
SCHEMBL12018996 0.80 HTT (1.00) HTTALDH1A1NPSR1RAB9ANPC1
SCHEMBL19736942 0.80 HTT (0.67) HTTALDH1A1NPSR1RAB9ANPC1
SCHEMBL6621432 0.80 HTT (0.67) HTTALDH1A1NPSR1RAB9ANPC1
SCHEMBL19991262 0.80 HTT (0.67) HTTALDH1A1NPSR1RAB9ANPC1
SCHEMBL4573001 0.80 HTT (0.67) HTTALDH1A1NPSR1RAB9ANPC1
SCHEMBL1530038 0.79 HTT (0.76) HTTALDH1A1NPSR1RAB9ANPC1

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