SCHEMBL8830000

SCHEMBL8830000

[CH2]c1c(Oc2ccccc2)cccc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
DPP4 P27487 1/20 0.47
HRH1 P35367 1/20 0.45
CTNNB1 P35222 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
RIPK1 Q13546 1/20 0.44
HPGD P15428 1/20 0.44
KDM1A O60341 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAOB P27338 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
SCHEMBL2465320 0.85 DPP4 (0.58) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL2092659 0.81 LTA4H (0.55) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL51822 0.81 LTA4H (0.69) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL95189 0.80 LTA4H (0.52) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL9264065 0.78 LTA4H (0.65) LTA4HTSHRLMNAGAAKMT2A
Bromide SCHEMBL8447011 0.78 LTA4H (0.65) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL5852017 0.78 LTA4H (0.65) LTA4HTSHRLMNAGAAKMT2A
Ammonia Solution, Strong SCHEMBL7127955 0.78 LTA4H (0.65) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL3893178 0.78 LTA4H (0.65) LTA4HTSHRLMNAGAAKMT2A
SCHEMBL3893171 0.78 ALDH1A1 (0.67) LTA4HTSHRLMNAGAAKMT2A

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-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed