SCHEMBL8553304

SCHEMBL8553304

O=C(O)c1ccccc1[C@@H](O)CCc1cccc(C=Cc2ccc3cc(F)c(F)cc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 5/20 0.44
▸ CYSLTR1 Q9Y271 5/20 0.44
▸ PIM1 P11309 1/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL8553300 1.00 CYSLTR2 (0.44) CYSLTR2CYSLTR1PIM1PTPRCPTPN1
SCHEMBL8553296 1.00 CYSLTR2 (0.44) CYSLTR2CYSLTR1PIM1PTPRCPTPN1
SCHEMBL8558979 0.87 CYSLTR1 (0.50) CYSLTR2CYSLTR1
SCHEMBL8558974 0.87 CYSLTR1 (0.50) CYSLTR2CYSLTR1
SCHEMBL8558976 0.87 CYSLTR1 (0.50) CYSLTR2CYSLTR1
Water SCHEMBL3030654 0.86 CYSLTR1 (0.49) CYSLTR2CYSLTR1
Water SCHEMBL3028013 0.86 CYSLTR1 (0.49) CYSLTR2CYSLTR1
SCHEMBL8560258 0.84 CYSLTR1 (0.45) CYSLTR2CYSLTR1
SCHEMBL8560260 0.84 CYSLTR1 (0.45) CYSLTR2CYSLTR1
SCHEMBL8595806 0.77 CYSLTR2 (0.55) CYSLTR2CYSLTR1PIM1

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
EP-0840728-A1 HETEROARYL DIOL ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1998-05-13 — — EP disclosed
US-5750539-A ANTIASTHMATICS MERCK FROSST CANADA (CA) 1998-05-12 — — US disclosed
WO-1996040638-A1 HETEROARYL DIOL ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (US) 1996-12-19 — — WO disclosed
Send feedback