SCHEMBL2563963

SCHEMBL2563963

CCCCCCCCCCCC(O)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.56
FFAR1 O14842 1/20 0.56
CES2 O00748 3/20 0.51
CES1 P23141 3/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
NAAA Q02083 3/20 0.50
PRSS1 P07477 2/20 0.50
CTSG P08311 2/20 0.50
CTRB1 P17538 2/20 0.50
CMA1 P23946 2/20 0.50
CSNK1E P49674 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL27312243 1.00 GPR84 (0.56) GPR84FFAR1CES2CES1MMP2
SCHEMBL7633629 1.00 GPR84 (0.56) GPR84FFAR1CES2CES1MMP2
Methane SCHEMBL8473584 0.98 GPR84 (0.55) GPR84FFAR1CES2CES1MMP2
SCHEMBL637814 0.98 GPR84 (0.53) GPR84FFAR1CES2CES1MMP2
Methane SCHEMBL8471033 0.97 GPR84 (0.52) GPR84FFAR1CES2CES1MMP2
SCHEMBL16581339 0.94 GPR84 (0.50) GPR84FFAR1CES2CES1MMP2
SCHEMBL11781795 0.93 CES2 (0.49) GPR84FFAR1CES2CES1MMP2
SCHEMBL3844012 0.89 ACE2 (0.53) GPR84FFAR1CES2CES1MMP2
SCHEMBL5711544 0.88 MMP2 (0.45) GPR84FFAR1CES2CES1MMP2
SCHEMBL10382538 0.87 GPR84 (0.47) GPR84FFAR1CES2CES1MMP2

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
EP-2038341-B1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS BV (NL) 2011-11-02 EP disclosed
US-20100130695-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS B.V. (NL) 2010-05-27 US disclosed
EP-2038341-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSMIP Assets B.V. (NL) 2009-03-25 EP disclosed
WO-2008006493-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS B.V. (NL) 2008-01-17 WO disclosed