SCHEMBL2528181

SCHEMBL2528181

CCC(C)C(=O)CCCCO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CES2 O00748 1/20 0.39
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 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
SCHEMBL16882773 0.98 KDM4E (0.47) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL2530966 0.98 KDM4E (0.47) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL16882938 0.98 KDM4E (0.47) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL2528149 0.93 CAMK2A (0.40) KDM4ESMN1; SMN2CES2LTA4HMEN1
SCHEMBL3409269 0.84 CES2 (0.56) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL2532287 0.83
SCHEMBL2527248 0.83 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL20848102 0.82 CES2 (0.43) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL21318254 0.82 CES2 (0.59) GPR84CES2MEN1FAAHMAPK1
SCHEMBL21448711 0.82 CES2 (0.59) GPR84CES2MEN1FAAHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
EP-2441783-B1 Lithographic printing plate precursor and lithographic printing method FUJIFILM CORP (JP) 2015-03-04 EP disclosed
US-4424343-A Preparation of 1-N- ω-amino-α-hydroxyalkanoyl!kanamycin polysilylates and products BRISTOL MYERS COMPANY (US) 1984-01-03 US disclosed