SCHEMBL28121237

SCHEMBL28121237

COc1cc(COc2cc(C)c(-c3cccc(COc4ccc5c(c4)OCC5C(C)C(=O)O)c3)c3c2CC3)ccn1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.51

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
SCHEMBL28120778 0.91 FFAR1 (0.58) FFAR1
SCHEMBL16347628 0.88 FFAR1 (0.69) FFAR1
SCHEMBL16347625 0.88 FFAR1 (0.69) FFAR1
SCHEMBL16388387 0.86 FFAR1 (0.60) FFAR1
SCHEMBL28121974 0.81 FFAR1 (0.55) FFAR1
SCHEMBL5787706 0.81 FFAR1 (0.72) FFAR1
SCHEMBL16388680 0.79 FFAR1 (0.69) FFAR1
SCHEMBL206701 0.78 FFAR1 (0.57) FFAR1
SCHEMBL206465 0.78 FFAR1 (0.57) FFAR1
SCHEMBL16347675 0.78 FFAR1 (0.80) FFAR1

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
CN-104507921-B Benzocyclobutene derivative and preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2017-02-22 CN disclosed