SCHEMBL9761889

SCHEMBL9761889

CCCCC(CCCC)c1cccc(C=NO)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.45
CA12 O43570 1/20 0.37
IAPP P10997 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
POLB P06746 3/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 5/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9761348 0.96 ALOX12 (0.42) ALOX12CA12IAPPCYSLTR2CYSLTR1
SCHEMBL7086706 0.86 CYSLTR2 (0.40) ALOX12CA12CYSLTR2CYSLTR1MAPT
SCHEMBL11203822 0.82 ALOX12 (0.42) ALOX12POLBGAAMAPTKDM4E
SCHEMBL8575511 0.81 CYSLTR2 (0.36) ALOX12CA12CYSLTR2CYSLTR1RAB9A
SCHEMBL7984330 0.79 CYSLTR2 (0.38) CA12CYSLTR2CYSLTR1MAPTALDH1A1
SCHEMBL5360505 0.79 CYSLTR2 (0.35) ALOX12CYSLTR2CYSLTR1POLBMAPT
SCHEMBL8943030 0.77 ALOX12 (0.49) ALOX12CA12POLBGAARAB9A
SCHEMBL8943032 0.77 ALOX12 (0.49) ALOX12CA12POLBGAARAB9A
SCHEMBL21173608 0.76 HPGD (0.57) ALOX12CA12POLBGAARAB9A
SCHEMBL5587366 0.76 BCHE (0.43) ALOX12IAPPCYSLTR2CYSLTR1MAPT

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-5047094-A With a hydroxi oxime of a metal coated on another metal IMPERIAL CHEMICAL INDUSTRIALS, PLC (GB) 1991-09-10 US disclosed