SCHEMBL5512486

SCHEMBL5512486

NN(CCCCO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CAMK2A Q9UQM7 1/20 0.36
ARG2 P78540 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL1837883 0.92
SCHEMBL9423516 0.87 LMNA (0.32)
SCHEMBL9423435 0.87 LMNA (0.32)
SCHEMBL9423565 0.84 EYA2 (0.30)
SCHEMBL5548837 0.81
SCHEMBL29406149 0.80 NFKB1 (0.44)
SCHEMBL1154654 0.78 AKR1B1 (0.42) GPR84FFAR1FFAR4
SCHEMBL9423718 0.78 TDP1 (0.33)
SCHEMBL10878603 0.76 GPR84 (0.44) GPR84FFAR1FFAR4
SCHEMBL5361611 0.76 GPR84 (0.44) GPR84FFAR1FFAR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed