SCHEMBL7514003

SCHEMBL7514003

[CH2]C(CCCCO)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 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
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
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
SCHEMBL6434213 0.81
SCHEMBL6681286 0.77
SCHEMBL10693225 0.76
1,4-Butanediol SCHEMBL10732844 0.74 SMN1; SMN2 (0.47) SMN1; SMN2TRPV1TRPA1LMNAALDH1A1
SCHEMBL4892706 0.74 LMNA (0.41) SMN1; SMN2TRPV1TRPA1LMNAALDH1A1
SCHEMBL15484265 0.74 TRPV1 (0.46) SMN1; SMN2TRPV1TRPA1LMNAALDH1A1
SCHEMBL5907081 0.74 SMN1; SMN2 (0.36) SMN1; SMN2TRPV1TRPA1LMNAALDH1A1
SCHEMBL3401418 0.73
SCHEMBL41064 0.73
SCHEMBL397922 0.73

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
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 EP disclosed