SCHEMBL11575730

SCHEMBL11575730

CC(CCCCCO)OO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32
FAAH O00519 5/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALOX5 P09917 1/20 0.30
PTPN1 P18031 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
SCHEMBL13498948 0.97
SCHEMBL2697648 0.90
SCHEMBL9082960 0.82 LMNA (0.39) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28367356 0.82 LMNA (0.43) LMNATRPV1TRPA1FAAHCNR1
SCHEMBL9080904 0.82 LMNA (0.39) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL13713631 0.80 FAAH (0.47) LMNAFAAHCNR1CNR2
SCHEMBL17240353 0.80 FAAH (0.47) LMNAFAAHCNR1CNR2
SCHEMBL6373282 0.80 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11798879 0.80 FAAH (0.47) LMNAFAAHCNR1CNR2
SCHEMBL28549144 0.77

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-4163814-A CONTAINING A HARDENER, SURFACTANT, BLOCKING AGENT AND A CHAIN EXTENDING AGENT MITSUI-NISSO CORPORATION (JP) 1979-08-07 US disclosed