SCHEMBL9243994

SCHEMBL9243994

O=C(O)c1cc2cc(OCc3cncc(C4CC(O)CCO4)c3)ccc2c(-c2ccccc2)c1CO

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.38
ALOX5 P09917 15/20 0.38
SLC16A3 O15427 1/20 0.33

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
SCHEMBL9264776 0.91 ALOX5 (0.36) P2RY14ALOX5
SCHEMBL9271610 0.91 ALOX5 (0.39) P2RY14ALOX5
SCHEMBL9302999 0.90 ALOX5 (0.42) P2RY14ALOX5
SCHEMBL9271846 0.87 ALOX5 (0.44) P2RY14ALOX5
SCHEMBL9302868 0.84 ALOX5 (0.42) P2RY14ALOX5SLC16A3
SCHEMBL9303431 0.84 ALOX5 (0.42) P2RY14ALOX5
SCHEMBL9304055 0.83 ALOX5 (0.43) P2RY14ALOX5
SCHEMBL9302885 0.83 ALOX5 (0.37) P2RY14ALOX5
SCHEMBL9303146 0.82 ALOX5 (0.42) P2RY14ALOX5
SCHEMBL9265197 0.82 ALOX5 (0.42) P2RY14ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5426109-A Leukotriene biosynthesis inhibitors; antiinflammatory, cytoprotective agents, antiallergens MERCK FROSST CANADA, INC. (CA) 1995-06-20 US disclosed
US-5350744-A Antiinflammatory, antiallergen MERCK FROSST CANADA, INC. (CA) 1994-09-27 US disclosed