SCHEMBL8413784

SCHEMBL8413784

CCCN1C(N2CCN(c3ccc(O)cc3)CC2)C2(OCCO2)c2c(OC)cccc2S1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
MAPT P10636 4/20 0.35
GAA P10253 4/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HTR7 P34969 2/20 0.34
GFER P55789 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD2 P14416 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL8413531 0.92 L3MBTL1 (0.37) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL8413815 0.87 HTR7 (0.39) MAPTKMT2ANPSR1HSD17B10KDM4E
SCHEMBL8413130 0.85 L3MBTL1 (0.38) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL8413732 0.84 MEN1 (0.39) MAPTGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL8413058 0.84 HTR7 (0.36) TYRMAPTGAALMNAALDH1A1
SCHEMBL8411972 0.79 DRD2 (0.43) MAPTLMNAKMT2AALDH1A1HTR7
SCHEMBL8413553 0.79 HSD11B1 (0.45) LMNAKMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8413538 0.78 L3MBTL1 (0.38) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL8412330 0.78 TYR (0.41) TYRMAPTGAALMNAKMT2A
SCHEMBL8413893 0.78 TYR (0.42) TYRMAPTGAALMNAKDM4E

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-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed