SCHEMBL11328867

SCHEMBL11328867

CCCCOCCOC(C)CC1CO1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 4/20 0.37
CYP3A4 P08684 2/20 0.34
SPHK2 Q9NRA0 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
EPHX1 P07099 1/20 0.31
PDK1 Q15118 1/20 0.30
GBA2 Q9HCG7 2/20 0.30
GBA1 P04062 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
SCHEMBL11332352 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL11327089 0.84 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL11324706 0.77 TSHR (0.34) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL11332347 0.76 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL996687 0.74 SMN1; SMN2 (0.92) SMN1; SMN2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL15678743 0.74 SMN1; SMN2 (0.92) SMN1; SMN2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL7127609 0.74 SMN1; SMN2 (0.92) SMN1; SMN2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL9225132 0.74 SMN1; SMN2 (0.92) SMN1; SMN2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL17049376 0.74
SCHEMBL21142107 0.74 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRCYP3A4

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-4259236-A COLORFAST RED SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1981-03-31 US disclosed