SCHEMBL17676573

SCHEMBL17676573

CCC(C)(C)C(C)N(C)c1ccc(F)cc1N(C)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.39
PER2 O15055 3/20 0.35
CRY1 Q16526 3/20 0.35
CRY2 Q49AN0 3/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
RIPK1 Q13546 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL13566136 0.82 PSEN1 (0.41) CYP19A1PER2CRY1CRY2PSEN1
SCHEMBL17676562 0.78 CYP19A1 (0.40) CYP19A1PER2CRY1CRY2PTGDR2
SCHEMBL12967282 0.74 PER2 (0.35) CYP19A1PER2CRY1CRY2PSEN1
SCHEMBL12937418 0.74 PSEN1 (0.34) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL17553805 0.71 PSEN1 (0.42) CYP19A1PER2CRY1CRY2PSEN1
SCHEMBL20230849 0.71 CYP19A1 (0.44) CYP19A1PER2CRY1CRY2PSEN1
SCHEMBL15503127 0.70 HRH4 (0.44) CYP19A1PER2CRY1CRY2PSEN1
SCHEMBL2737239 0.70 PSEN1 (0.41) CYP19A1PER2CRY1CRY2PSEN1
SCHEMBL16918235 0.69 CYP19A1 (0.38) CYP19A1PER2CRY1CRY2PSEN1
SCHEMBL16918159 0.68 CYP19A1 (0.45) CYP19A1PSEN1PSEN2APH1BNCSTN

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
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed