SCHEMBL19607575

SCHEMBL19607575

O=C(Oc1nsnc1N1CCCCCC1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPA P38571 8/20 1.00
ALDH1A1 P00352 4/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ABHD6 Q9BV23 2/20 0.56
KMT2A Q03164 3/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL17078235 1.00 LIPA (1.00) LIPAALDH1A1MAPTKDM4EHPGD
SCHEMBL17078227 0.99 LIPA (1.00) LIPAALDH1A1MAPTKDM4EHPGD
SCHEMBL17078300 0.95 LIPA (1.00) LIPAALDH1A1MAPTKDM4EHPGD
SCHEMBL17078250 0.93 LIPA (1.00) LIPAALDH1A1MAPTKDM4EHPGD
SCHEMBL17078253 0.90 LIPA (1.00) LIPAALDH1A1MAPTKDM4EHPGD
SCHEMBL17078239 0.90 LIPA (1.00) LIPAALDH1A1MAPTKDM4EHPGD
SCHEMBL19607576 0.90 LIPA (1.00) LIPAALDH1A1MAPTKDM4EHPGD
SCHEMBL19584717 0.79 LIPA (0.72) LIPAALDH1A1MAPTKDM4EHPGD
SCHEMBL17244724 0.75 ALDH1A1 (1.00) LIPAALDH1A1MAPTKDM4EHPGD
SCHEMBL22799434 0.72 ABHD6 (1.00) LIPAALDH1A1MAPTKDM4EHPGD

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
WO-2017194734-A1 MEANS AND METHODS FOR TREATING MYCOBACTERIAL DISEASES Technische Universität München (DE) 2017-11-16 WO disclosed