SCHEMBL8348530

SCHEMBL8348530

O[C@H]1c2cc(Oc3ccc4ccccc4n3)ccc2OCC[C@@H]1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.41
ALOX5 P09917 1/20 0.36
PDE4B Q07343 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL8348539 1.00 LTB4R (0.41) LTB4RALOX5PDE4BMEN1POLB
SCHEMBL8352997 1.00 LTB4R (0.41) LTB4RALOX5PDE4BMEN1POLB
SCHEMBL8348546 1.00 LTB4R (0.41) LTB4RALOX5PDE4BMEN1POLB
SCHEMBL8353000 1.00 LTB4R (0.41) LTB4RALOX5PDE4BMEN1POLB
SCHEMBL8348170 0.91 LTB4R (0.47) LTB4RALOX5
SCHEMBL8348174 0.91 LTB4R (0.47) LTB4RALOX5
SCHEMBL8348180 0.91 LTB4R (0.47) LTB4RALOX5
SCHEMBL8347631 0.91 LTB4R (0.43) LTB4RALOX5PDE4B
SCHEMBL8347621 0.91 LTB4R (0.43) LTB4RALOX5PDE4B
SCHEMBL8347615 0.91 LTB4R (0.43) LTB4RALOX5PDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952326-A Tetralin and chroman derivatives useful in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1999-09-14 US disclosed
US-5698550-A Tetralin and chroman derivatives useful in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1997-12-16 US disclosed
EP-0441515-B1 Tetralin and chroman derivatives in the treatment of asthma, arthritis and related diseases PFIZER (US) 1995-10-04 EP disclosed
WO-1991012253-A1 TETRALIN AND CHROMAN DERIVATIVES USEFUL IN THE TREATMENT OF ASTHMA, ARTHRITIS, AND RELATED DISEASES PFIZER INC. (US) 1991-08-22 WO disclosed