SCHEMBL9770539

SCHEMBL9770539

O=C1CCC(=O)N1COc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.54
ALDH1A1 P00352 1/20 0.50
GFER P55789 1/20 0.50
PLA2G7 Q13093 1/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
PARL Q9H300 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNA3 P22001 1/20 0.41
NPC1 O15118 2/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9770576 0.81 GAA (0.58) ALDH1A1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL8764222 0.79 MGLL (0.52) PLA2G7TSHRMAPK1RAB9ASMN1; SMN2
SCHEMBL7337661 0.78 GSK3A (0.57) ALOX12ALDH1A1PLA2G7TSHRMAPK1
SCHEMBL9770647 0.76 RAB9A (0.66) ALDH1A1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9770595 0.75 PARL (0.47) ALDH1A1PARLLMNA
SCHEMBL8469734 0.74 POLB (0.51) ALOX12ALDH1A1TSHRRAB9APOLB
SCHEMBL11114870 0.74 L3MBTL1 (0.60) ALDH1A1TSHRMAPK1MAPTMEN1
SCHEMBL15105715 0.74 ALOX12 (0.45) ALOX12ALDH1A1GFERPLA2G7RAB9A
SCHEMBL20248861 0.73 ALOX12 (0.70) ALOX12ALDH1A1GFERPLA2G7MAPK1
SCHEMBL21371330 0.72 TSHR (0.44) ALOX12ALDH1A1PLA2G7TSHRMAPK1

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-5001115-A Prodrugs of biologically active hydroxyaromatic compounds UNIVERSITY OF FLORIDA (US) 1991-03-19 US disclosed