SCHEMBL7880865

SCHEMBL7880865

CC(C)OC(O)CCCCO

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7526967 0.98 LMNA (0.35) SMN1; SMN2TRPV1TRPA1LMNATSHR
SCHEMBL1002494 0.96 LMNA (0.33) TRPV1TRPA1LMNATSHRALDH1A1
SCHEMBL8782080 0.91 TSHR (0.31) TSHR
SCHEMBL822221 0.85 TSHR (0.36) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
SCHEMBL27541552 0.82 LMNA (0.35) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
SCHEMBL10979391 0.82
SCHEMBL10181292 0.79 SPHK1 (0.48) LMNA
SCHEMBL10276905 0.79 SPHK1 (0.48) LMNA
SCHEMBL6574376 0.79 TRPV1 (0.39) TRPV1TRPA1
SCHEMBL344908 0.79 SPHK1 (0.48) LMNA

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-6177070-B1 REACTIVE ALDEHYDES THAT FORM UNSATURATED COMPOUNDS LYNCH UNA E (US) 2001-01-23 US disclosed