SCHEMBL9268754

SCHEMBL9268754

CCC1CCOC(c2cccc(COc3ccc4c(-c5ccoc5)c(CO)c(C(=O)O)cc4c3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.41
P2RY14 Q15391 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL9302310 0.92 ALOX5 (0.40) ALOX5P2RY14FFAR1
SCHEMBL9265197 0.92 ALOX5 (0.42) ALOX5P2RY14
SCHEMBL9268666 0.91 ALOX5 (0.41) ALOX5P2RY14
SCHEMBL9303146 0.83 ALOX5 (0.42) ALOX5P2RY14FFAR1
SCHEMBL9302999 0.83 ALOX5 (0.42) ALOX5P2RY14FFAR1
SCHEMBL9302611 0.83 ALOX5 (0.39) ALOX5P2RY14FFAR1
SCHEMBL9304199 0.83 ALOX5 (0.43) ALOX5P2RY14FFAR1
SCHEMBL9302471 0.83 ALOX5 (0.43) ALOX5P2RY14FFAR1
SCHEMBL9271610 0.82 ALOX5 (0.39) ALOX5P2RY14FFAR1
SCHEMBL9267794 0.81 ALOX5 (0.42) ALOX5P2RY14

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-5428060-A Useful as antiasthamatic, antiallergic, antiinflammatory and cytoprotective agent MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-5252599-A Antiasthma, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-10-12 US disclosed