SCHEMBL3489436

SCHEMBL3489436

O=C(O)C(=O)C(O)CCCCCCC=CCCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GPR84 Q9NQS5 3/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 2/20 0.35
GPR132 Q9UNW8 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
SCHEMBL28728652 0.85 GPR84 (0.52) FFAR1FFAR4GPR84PTPN1ALDH1A1
SCHEMBL17986393 0.85 GPR84 (0.52) FFAR1FFAR4GPR84PTPN1ALDH1A1
SCHEMBL29033660 0.85 GPR84 (0.52) FFAR1FFAR4GPR84PTPN1ALDH1A1
SCHEMBL2229251 0.85 GPR84 (0.52) FFAR1FFAR4GPR84PTPN1ALDH1A1
SCHEMBL580357 0.85 GPR84 (0.52) FFAR1FFAR4GPR84PTPN1ALDH1A1
SCHEMBL28126407 0.81 GPR84 (0.47) FFAR1FFAR4GPR84MAPT
SCHEMBL28311963 0.81 GPR84 (0.47) FFAR1FFAR4GPR84ALDH1A1MAPT
SCHEMBL5745236 0.80 GPR84 (0.37) FFAR1FFAR4GPR84PTPN1
SCHEMBL28342079 0.80 ALDH1A1 (0.42) FFAR1FFAR4GPR84ALDH1A1MAPT
SCHEMBL20550999 0.79 GPR84 (0.48) FFAR1GPR84ALDH1A1MAPTPPARG

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-20100074991-A1 NOVEL OXIDOREDUCTASES AND USES THEREOF DSM IP ASSETS B.V. (NL) 2010-03-25 US disclosed
EP-1987139-A2 NOVEL OXIDOREDUCTASES AND USES THEREOF DSMIP Assets B.V. (NL) 2008-11-05 EP disclosed
WO-2007090675-A2 NOVEL OXIDOREDUCTASES AND USES THEREOF DSM IP ASSETS B.V. (NL) 2007-08-16 WO disclosed