SCHEMBL20117490

SCHEMBL20117490

CCCCCCCNc1nc(=O)cc(C(C)C)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 13/20 0.56
XDH P47989 3/20 0.48
BCHE P06276 1/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC4 Q9UBN4 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
RIPK1 Q13546 1/20 0.38
ELANE P08246 2/20 0.38

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
SCHEMBL18474432 0.82 EPHX1 (0.49) GPR84
SCHEMBL9377909 0.75 GPR84 (0.51) GPR84XDHBCHETRPC3TRPC4
SCHEMBL18508466 0.71 GPR84 (0.50) GPR84XDHBCHETRPC3TRPC4
SCHEMBL15202372 0.69 XDH (0.48) GPR84XDHBCHETRPC3TRPC4
SCHEMBL7699028 0.68 GPR84 (0.54) GPR84XDHBCHETRPC3TRPC4
SCHEMBL32678515 0.68 CYP3A4 (0.42)
SCHEMBL9377914 0.66 POLB (0.69) GPR84XDHBCHETRPC3TRPC4
SCHEMBL31120334 0.66 GPR84 (0.42) GPR84XDHBCHETRPC3TRPC4
SCHEMBL8535455 0.66 XDH (0.67) GPR84XDHBCHETRPC3TRPC4
SCHEMBL9655166 0.66 GPR84 (0.58) GPR84XDH

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
EP-2521533-B1 COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD AND COMPOUND OREAL (FR) 2018-05-02 EP disclosed