SCHEMBL8889121

SCHEMBL8889121

COC(=O)c1ccc(OC)c(C[C@H]2COc3ccc(OCc4ccccc4)cc3[C@H]2O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
LTB4R Q15722 7/20 0.44
USP2 O75604 2/20 0.44
CYP3A4 P08684 1/20 0.44
LTB4R2 Q9NPC1 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
FFAR1 O14842 2/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL8889127 1.00 CYSLTR2 (0.45) CYSLTR2CYSLTR1LTB4RUSP2CYP3A4
SCHEMBL8899724 0.93 LTB4R (0.52) CYSLTR2CYSLTR1LTB4RUSP2CYP3A4
SCHEMBL8899706 0.93 LTB4R (0.52) CYSLTR2CYSLTR1LTB4RUSP2CYP3A4
SCHEMBL8899697 0.93 LTB4R (0.52) CYSLTR2CYSLTR1LTB4RUSP2CYP3A4
SCHEMBL8040414 0.86 USP2 (0.47) CYSLTR2CYSLTR1LTB4RUSP2CYP3A4
SCHEMBL9015087 0.86 USP2 (0.47) CYSLTR2CYSLTR1LTB4RUSP2CYP3A4
SCHEMBL9015096 0.86 USP2 (0.47) CYSLTR2CYSLTR1LTB4RUSP2CYP3A4
SCHEMBL8892276 0.81 CYP3A4 (0.46) USP2CYP3A4L3MBTL1LMNATSHR
SCHEMBL8040402 0.81 FFAR1 (0.42) CYSLTR2CYSLTR1LTB4RUSP2CYP3A4
SCHEMBL9015030 0.81 FFAR1 (0.42) CYSLTR2CYSLTR1LTB4RUSP2CYP3A4

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-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