SCHEMBL9015096

SCHEMBL9015096

COc1ccc(N)cc1C[C@@H]1COc2ccc(OCc3ccccc3)cc2[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
LTB4R Q15722 8/20 0.47
LTB4R2 Q9NPC1 4/20 0.43
FFAR1 O14842 2/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL8040414 1.00 USP2 (0.47) USP2CYP3A4LTB4RLTB4R2FFAR1
SCHEMBL9015087 1.00 USP2 (0.47) USP2CYP3A4LTB4RLTB4R2FFAR1
SCHEMBL8040402 0.90 FFAR1 (0.42) USP2CYP3A4LTB4RLTB4R2FFAR1
SCHEMBL9015030 0.90 FFAR1 (0.42) USP2CYP3A4LTB4RLTB4R2FFAR1
SCHEMBL8899697 0.88 LTB4R (0.52) USP2CYP3A4LTB4RLTB4R2FFAR1
SCHEMBL8899706 0.88 LTB4R (0.52) USP2CYP3A4LTB4RLTB4R2FFAR1
SCHEMBL8899724 0.88 LTB4R (0.52) USP2CYP3A4LTB4RLTB4R2FFAR1
SCHEMBL8889121 0.86 CYSLTR2 (0.45) USP2CYP3A4LTB4RLTB4R2FFAR1
SCHEMBL8889127 0.86 CYSLTR2 (0.45) USP2CYP3A4LTB4RLTB4R2FFAR1
SCHEMBL8029819 0.83 CYP3A4 (0.47) USP2CYP3A4LTB4RLTB4R2

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