SCHEMBL17115809

SCHEMBL17115809

O=NC(=O)CCCCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.52
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CAMK2A Q9UQM7 1/20 0.38
GAA P10253 1/20 0.36
LMNA P02545 4/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MIF P14174 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL14402220 0.97
SCHEMBL7207469 0.89
SCHEMBL21467449 0.89 TSHR (0.42) GPR84FFAR1FFAR4LMNATSHR
SCHEMBL18386700 0.89 TSHR (0.42) GPR84FFAR1FFAR4LMNATSHR
SCHEMBL10160296 0.86 LMNA (0.39) GPR84FFAR1FFAR4LMNATSHR
SCHEMBL19193496 0.85 FFAR1 (0.40) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL18862808 0.80 SLC22A6 (0.39) LMNATSHRNFKB1PMP22
SCHEMBL16256393 0.79 TSHR (0.63) GPR84FFAR1FFAR4LMNATSHR
SCHEMBL17676783 0.79 TSHR (0.63) GPR84FFAR1FFAR4LMNATSHR
SCHEMBL16449377 0.79 TSHR (0.63) GPR84FFAR1FFAR4LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150267211-A1 METHODS OF PRODUCING 6-CARBON CHEMICALS VIA CoA-DEPENDENT CARBON CHAIN ELONGATION ASSOCIATED WITH CARBON STORAGE INV NYLON CHEMICALS AMERICAS, LLC 2015-09-24 US disclosed