SCHEMBL27864346

SCHEMBL27864346

CCCCC(O)C(C)NNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
MAPK1 P28482 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
SPHK1 Q9NYA1 1/20 0.37
FFAR1 O14842 1/20 0.37
SLC15A1 P46059 1/20 0.36
ABCB1 P08183 1/20 0.36
CA1 P00915 2/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL16164224 0.81 CA2 (0.41) CA2MAPK1GPR84SPHK1FFAR1
SCHEMBL27880624 0.80 CA2 (0.41) CA2MAPK1GPR84FFAR1CA1
SCHEMBL28849586 0.79 TAS1R3 (0.44) CA2MAPK1GPR84SLC15A1CA1
Acetic Acid SCHEMBL29171611 0.74 CA2 (0.45) CA2MAPK1GPR84SPHK1FFAR1
SCHEMBL27829026 0.73 PLA2G2C (0.45) CA2MAPK1GPR84FFAR1CA1
SCHEMBL4091970 0.73 CA2 (0.45) CA2MAPK1GPR84FFAR1CA1
Carbamic Acid SCHEMBL28121533 0.72 CA2 (0.47) CA2MAPK1GPR84SPHK1FFAR1
SCHEMBL14209853 0.71 SPHK1 (0.45) CA2SPHK1SLC15A1ABCB1CA1
Acetic Acid SCHEMBL11032525 0.71 CA2 (0.47) CA2MAPK1GPR84FFAR1CA1
SCHEMBL30506664 0.70

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
CN-102596910-A Androgen receptor modulating compounds ORION CORP 2012-07-18 CN disclosed