SCHEMBL13953003

SCHEMBL13953003

CCCCCCCC(C)c1ncc(CCC(N)(CO)C(=O)O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
BRS3 P32247 6/20 0.42
S1PR4 O95977 7/20 0.39
S1PR1 P21453 7/20 0.39
S1PR5 Q9H228 6/20 0.39
S1PR3 Q99500 3/20 0.39
HCAR2 Q8TDS4 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
LNPEP Q9UIQ6 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM3B Q7LBC6 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
HCAR3 P49019 1/20 0.33

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
SCHEMBL14145262 0.83 BRS3 (0.43) GPR84BRS3S1PR4S1PR1S1PR5
SCHEMBL14145145 0.81 SPTLC1 (0.41) GPR84BRS3S1PR4S1PR1S1PR5
SCHEMBL13953372 0.77 S1PR1 (0.41) S1PR4S1PR1S1PR5S1PR3
SCHEMBL13953201 0.75 S1PR1 (0.48) S1PR4S1PR1S1PR5S1PR3
SCHEMBL2622476 0.73 HRH4 (0.47) BRS3
SCHEMBL13932736 0.68 S1PR1 (0.66) S1PR4S1PR1S1PR5S1PR3
SCHEMBL13953091 0.68 S1PR4 (0.42) GPR84S1PR4S1PR1S1PR5
SCHEMBL2632242 0.65 S1PR1 (0.67) S1PR4S1PR1S1PR5S1PR3
SCHEMBL13932767 0.65 S1PR1 (0.67) S1PR4S1PR1S1PR5S1PR3
SCHEMBL3108002 0.65 ARG2 (0.58)

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
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO disclosed