SCHEMBL5835923

SCHEMBL5835923

CC(C)c1cc(F)cc2cc3n(c12)C(C(C)C(=O)O)CC3

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.31
IDO1 P14902 1/20 0.30
NLRP3 Q96P20 3/20 0.30

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
SCHEMBL5836339 1.00 TBXA2R (0.31) TBXA2RIDO1NLRP3
SCHEMBL5836378 0.88
SCHEMBL5835473 0.85 TBXA2R (0.31) TBXA2RIDO1
SCHEMBL5772760 0.82 PTGDR (0.39) TBXA2R
SCHEMBL5776344 0.80 TBXA2R (0.38) TBXA2RNLRP3
SCHEMBL5835600 0.78 GLRA1 (0.40)
SCHEMBL5797215 0.72 TBXA2R (0.36) TBXA2R
SCHEMBL1253055 0.71
SCHEMBL5835091 0.71 PTGS2 (0.31)
SCHEMBL6730215 0.71 PTGS2 (0.31)

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-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed