SCHEMBL11787604

SCHEMBL11787604

CC(=O)C(Cl)CCCCO

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CAMK2A Q9UQM7 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL28674649 0.92
SCHEMBL585068 0.81
SCHEMBL10558077 0.80 TBXAS1 (0.43) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL254414 0.80 GPR84 (0.46) GPR84FFAR1FFAR4
SCHEMBL11467060 0.78 GPR84 (0.50) GPR84FFAR1FFAR4
SCHEMBL11474694 0.78 GPR84 (0.50) GPR84FFAR1FFAR4
SCHEMBL11466630 0.78 GPR84 (0.50) GPR84FFAR1FFAR4
SCHEMBL11459203 0.78 GPR84 (0.50) GPR84FFAR1FFAR4
SCHEMBL7404201 0.78 GPR84 (0.32) GPR84FFAR1FFAR4
SCHEMBL11458688 0.78 GPR84 (0.50) GPR84FFAR1FFAR4

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-3987096-A PROCESS FOR CHLORINATION OF ACETALDOXIME E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-10-19 US disclosed