SCHEMBL6947284

SCHEMBL6947284

C=C(C)C(=O)CCCCCCCCCCO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CES1 P23141 6/20 0.42
CES2 O00748 5/20 0.42
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
CAMK2A Q9UQM7 1/20 0.35
PAOX Q6QHF9 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL13316191 1.00 GPR84 (0.48) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL16684259 0.98 GPR84 (0.44) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL12372046 0.90
SCHEMBL12697091 0.87 CES1 (0.48) CES1CES2LMNAALDH1A1TSHR
SCHEMBL1982596 0.82 CES1 (0.43) CES1CES2ALDH1A1TSHR
SCHEMBL13941288 0.81 CES1 (0.68) GPR84FFAR1FFAR4CES1CES2
SCHEMBL12198774 0.81 CES1 (0.68) GPR84FFAR1FFAR4CES1CES2
SCHEMBL8758526 0.81 CES1 (0.68) GPR84FFAR1FFAR4CES1CES2
SCHEMBL12198772 0.81 CES1 (0.68) GPR84FFAR1FFAR4CES1CES2
SCHEMBL3678184 0.81 CES1 (0.42) GPR84CES1CES2LMNAALDH1A1

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-1084131-B1 ORGANOPHOSPHORUS COMPOUNDS FOR DENTAL POLYMERIZABLE COMPOSITIONS KURARAY CO (JP) 2003-11-26 EP disclosed
US-6458868-B1 Organophosphorus compounds for dental polymerizable compositions KURARAY CO., LTD. (JP) 2002-10-01 US disclosed
EP-1084131-A1 ORGANOPHOSPHORUS COMPOUNDS FOR DENTAL POLYMERIZABLE COMPOSITIONS KURARAY CO., LTD. (JP) 2001-03-21 EP disclosed
WO-2000058316-A1 ORGANOPHOSPHORUS COMPOUNDS FOR DENTAL POLYMERIZABLE COMPOSITIONS KURARAY CO., LTD. (JP) 2000-10-05 WO disclosed