SCHEMBL8899706

SCHEMBL8899706

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.52
LTB4R2 Q9NPC1 5/20 0.52
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
FFAR1 O14842 3/20 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
SCHEMBL8899697 1.00 LTB4R (0.52) LTB4RLTB4R2CYSLTR2CYSLTR1USP2
SCHEMBL8899724 1.00 LTB4R (0.52) LTB4RLTB4R2CYSLTR2CYSLTR1USP2
SCHEMBL8889127 0.93 CYSLTR2 (0.45) LTB4RLTB4R2CYSLTR2CYSLTR1USP2
SCHEMBL8889121 0.93 CYSLTR2 (0.45) LTB4RLTB4R2CYSLTR2CYSLTR1USP2
SCHEMBL8040414 0.88 USP2 (0.47) LTB4RLTB4R2CYSLTR2CYSLTR1USP2
SCHEMBL9015087 0.88 USP2 (0.47) LTB4RLTB4R2CYSLTR2CYSLTR1USP2
SCHEMBL9015096 0.88 USP2 (0.47) LTB4RLTB4R2CYSLTR2CYSLTR1USP2
SCHEMBL9015030 0.82 FFAR1 (0.42) LTB4RLTB4R2CYSLTR2CYSLTR1USP2
SCHEMBL8040402 0.82 FFAR1 (0.42) LTB4RLTB4R2CYSLTR2CYSLTR1USP2
SCHEMBL8462745 0.78 CYSLTR1 (0.64) LTB4RLTB4R2CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed
EP-0665842-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1995-08-09 EP disclosed
WO-1994008996-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1994-04-28 WO disclosed