SCHEMBL9015098

SCHEMBL9015098

COc1ccc(N)cc1C[C@H]1COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc2[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.52
CYSLTR1 Q9Y271 2/20 0.41
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
ALOX5AP P20292 1/20 0.34

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
SCHEMBL9015101 1.00 LTB4R (0.52) LTB4RCYSLTR1USP2CYP3A4CYSLTR2
SCHEMBL8041597 1.00 LTB4R (0.52) LTB4RCYSLTR1USP2CYP3A4CYSLTR2
SCHEMBL8898032 0.84 CYSLTR1 (0.60) LTB4RCYSLTR1CYSLTR2
SCHEMBL8890632 0.84 CYSLTR1 (0.60) LTB4RCYSLTR1CYSLTR2
SCHEMBL8889702 0.84 LTB4R (0.63) LTB4RCYSLTR1CYSLTR2
SCHEMBL8040414 0.80 USP2 (0.47) LTB4RCYSLTR1USP2CYP3A4CYSLTR2
SCHEMBL9015096 0.80 USP2 (0.47) LTB4RCYSLTR1USP2CYP3A4CYSLTR2
SCHEMBL9015087 0.80 USP2 (0.47) LTB4RCYSLTR1USP2CYP3A4CYSLTR2
SCHEMBL8464080 0.78 LTB4R (0.72) LTB4RCYSLTR1USP2CYP3A4CYSLTR2
SCHEMBL8464077 0.78 LTB4R (0.72) LTB4RCYSLTR1USP2CYP3A4CYSLTR2

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-5539128-A Processes and intermediates for preparing cis(+)3-[4,6-dihydroxy chroman-3-ylmethyl]-4-methoxyaniline PFIZER INC. (US) 1996-07-23 US disclosed