SCHEMBL6233636

SCHEMBL6233636

C=C(CCCCO)C(=O)OC=C(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6914356 0.95 CAMK2A (0.33)
SCHEMBL6288681 0.78 ALDH1A1 (0.42)
SCHEMBL11357465 0.76 GPR84 (0.39) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL14562728 0.75 GPR84 (0.37) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL5591839 0.73 ALDH1A1 (0.42)
SCHEMBL1651674 0.72 GPR84 (0.35) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL1651671 0.72 GPR84 (0.35) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL9066939 0.72 GPR84 (0.35) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL9066943 0.72 GPR84 (0.35) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL28248080 0.72 ALDH1A1 (0.43) GPR84FFAR1FFAR4FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179555-B1 1:1 Monoadducts from hydroxy(meth)acrylates and diisocyanates having low monomer content and process for their preparation DEGUSSA (DE) 2005-04-27 EP claimed
EP-1179555-A1 1:1 Monoadducts from hydroxy(meth)acrylates and diisocyanates having low monomer content and process for their preparation Degussa AG (DE) 2002-02-13 EP claimed