SCHEMBL21806007

SCHEMBL21806007

CCCCCCCCC1CCCCC1(C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
BCHE P06276 1/20 0.35
ALOX5 P09917 1/20 0.34
EPHX1 P07099 8/20 0.34
EPHX2 P34913 2/20 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
SCHEMBL31405356 0.84 ARG1 (0.37) NAAATDP1ALOX5EPHX1
SCHEMBL27812725 0.75 TDP1 (0.39) NAAATDP1ALOX5
Water SCHEMBL28036000 0.74 EPHX1 (0.35) NAAATDP1EPHX1
SCHEMBL28023532 0.74 ALOX5 (0.41) TDP1ALOX5
Sulfuric Acid SCHEMBL8607900 0.74 NAAA (0.36) NAAATDP1EPHX1EPHX2
SCHEMBL24925663 0.74 TDP1 (0.40) TDP1EPHX1
SCHEMBL10706271 0.74 EPHX1 (0.37) NAAATDP1EPHX1
SCHEMBL31314377 0.74 CYP1A2 (0.41) NAAATDP1EPHX1EPHX2
SCHEMBL28169087 0.73 CYP1A2 (0.39) TDP1EPHX1
Water SCHEMBL28822891 0.72 TDP1 (0.36) NAAATDP1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110637015-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-04-02 CN disclosed
EP-3596053-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-08-16 EP disclosed
EP-3852736-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
WO-2020061118-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2020061116-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2020061117-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed