SCHEMBL5706341

SCHEMBL5706341

C[SiH](C)C#Cc1cccc(CNCC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.44
CXCR4 P61073 10/20 0.41
MAP4K4 O95819 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
NPY5R Q15761 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL4513887 0.81 PTGES (0.44) PTGESCXCR4MAP4K4PRMT5WDR77
SCHEMBL5706352 0.78 HAO1 (0.37) PTGESKMT2AHAO1ACACB
SCHEMBL5706323 0.77 PRMT5 (0.39) CXCR4PRMT5WDR77NPY5RMEN1
SCHEMBL15587410 0.73 CXCR4 (0.65) CXCR4MAP4K4PRMT5WDR77MEN1
SCHEMBL4516752 0.72 PTGES (0.48) PTGESCXCR4ACACB
SCHEMBL4516755 0.72 PTGES (0.48) PTGESCXCR4ACACB
SCHEMBL4521335 0.72 PTGES (0.48) PTGESCXCR4ACACB
SCHEMBL5706343 0.71 DPP4 (0.46) PTGES
SCHEMBL4519671 0.71 PTGES (0.45) PTGESCXCR4ACACB
SCHEMBL4523871 0.71 FFAR1 (0.54) PTGESCXCR4ACACB

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-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 WO disclosed