SCHEMBL8695142

SCHEMBL8695142

COc1ccc(CCCCCCCCOc2ccc(CO)nc2I)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.48
LTB4R Q15722 18/20 0.47
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL8696845 0.85 LTB4R (0.47) LTB4RTDP1L3MBTL1
Bromide SCHEMBL8693640 0.84 LTB4R (0.46) LTB4RTDP1L3MBTL1
SCHEMBL8862080 0.79 LTB4R (0.61) LTB4R
SCHEMBL8757578 0.78 LTB4R (0.75) LTB4R
SCHEMBL8694497 0.78 LTB4R (0.75) LTB4R
SCHEMBL8699765 0.77 LTB4R (0.61) LTB4R
SCHEMBL8699763 0.77 LTB4R (0.61) LTB4R
Hydrochloric Acid SCHEMBL8698525 0.77 LTB4R (0.74) LTB4R
SCHEMBL8757554 0.77 LTB4R (0.63) LTB4R
SCHEMBL8757559 0.77 LTB4R (0.56) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726315-A Certain 3-hydroxy-6-hydroxymethyl-pyridine intermediates SMITHKLINE BEECHAM PLC (GB) 1998-03-10 US disclosed
US-5646286-A Palladium catalyzed vinylic substitution reactions with 2-substituted-pyridines SMITHKLINE BEECHAM PLC (GB) 1997-07-08 US disclosed
EP-0705249-B1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP disclosed
EP-0705249-A1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1996-04-10 EP disclosed
WO-1995000487-A1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1995-01-05 WO disclosed