SCHEMBL17156152

SCHEMBL17156152

CN(C)/C=C(\Oc1ccccc1)C(=O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 17/20 0.49
CYP11B2 P19099 12/20 0.46
ELANE P08246 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL17156153 1.00 CYP11B1 (0.49) CYP11B1CYP11B2ELANEGAA
SCHEMBL15722440 0.79 CYP11B1 (0.51) CYP11B1CYP11B2
SCHEMBL23581411 0.77 CYP11B1 (0.35) CYP11B1CYP11B2GAA
SCHEMBL23581410 0.77 CYP11B1 (0.35) CYP11B1CYP11B2GAA
SCHEMBL23597417 0.77 CYP11B1 (0.35) CYP11B1CYP11B2GAA
SCHEMBL14224627 0.75 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL14021694 0.74 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL13871291 0.74 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL17156240 0.74 CYP11B1 (0.47) CYP11B1CYP11B2GAA
SCHEMBL17156241 0.74 CYP11B1 (0.47) CYP11B1CYP11B2GAA

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-2929883-A1 Pyrazole derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors INSTITUT PASTEUR (FR) 2015-10-14 EP disclosed