SCHEMBL3787053

SCHEMBL3787053

COC(OC)C1(Oc2ccccc2)C=CC=CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.31

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
SCHEMBL38651262 0.76
SCHEMBL5720995 0.72 GABBR2 (0.38)
SCHEMBL28512650 0.71 CA4 (0.32) CA4
SCHEMBL28031217 0.71 CHRNB2 (0.31)
SCHEMBL11513413 0.70 SRD5A2 (0.39)
SCHEMBL5941447 0.70 OPRM1 (0.32)
SCHEMBL25281051 0.69 LTA4H (0.31)
SCHEMBL11232827 0.68 LTA4H (0.30)
SCHEMBL28811534 0.68 LTA4H (0.30)
SCHEMBL548074 0.68 LTA4H (0.30)

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
EP-2187893-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2010-05-26 EP disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 WO disclosed