SCHEMBL181636

SCHEMBL181636

CSC1(SC)CCOc2ccc(C#CC(O)c3cccnc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
GRM4 Q14833 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
PTGER4 P35408 1/20 0.30
CYP19A1 P11511 1/20 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
SCHEMBL7713112 0.81 RARB (0.41)
SCHEMBL8499337 0.78 CTNNB1 (0.39) GRM4SMN1; SMN2
SCHEMBL7709229 0.76 RARB (0.41)
SCHEMBL7713267 0.75 ACACB (0.33) KDM4C
SCHEMBL4373679 0.74 APP (0.30)
SCHEMBL7715091 0.74 RARB (0.42) MAPK1SMN1; SMN2
SCHEMBL7714840 0.73 CA12 (0.35) SMN1; SMN2
SCHEMBL8681448 0.73 NPC1 (0.39) PTGER4
SCHEMBL20636862 0.70 BACE1 (0.36)
SCHEMBL8197285 0.70 AKR1B1 (0.33)

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-2400951-A1 TOPICAL FOAM COMPOSITION Stiefel Research Australia Pty Ltd (AU) 2012-01-04 EP disclosed
WO-2010096868-A1 TOPICAL FOAM COMPOSITION STIEFEL RESEARCH AUSTRALIA PTY LTD (AU) 2010-09-02 WO disclosed