SCHEMBL13730325

SCHEMBL13730325

CC(C)CCOC(=O)CCN1CCC(CC2CCN(CCC(=O)OCCC(C)(C)C)C2)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ARG1 P05089 2/20 0.31
▸ ARG2 P78540 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ CACNA1I Q9P0X4 2/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL12009951 0.90 ARG1 (0.31) SMN1; SMN2LTA4HARG1ARG2
SCHEMBL13510862 0.88 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TSHRARG1ARG2
SCHEMBL10074652 0.85 CYP19A1 (0.35) SMN1; SMN2ALDH1A1TSHRTP53
SCHEMBL15314276 0.82 SMN1; SMN2 (0.35) SMN1; SMN2LTA4HARG1ARG2HTT
SCHEMBL464417 0.80 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TSHRARG1ARG2
SCHEMBL19036251 0.79 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TSHRKCNH2CACNA1I
SCHEMBL12181288 0.79 CHRM1 (0.33) SMN1; SMN2ALDH1A1TSHRARG1ARG2
SCHEMBL421373 0.79 ALDH1A1 (0.40) SMN1; SMN2LTA4HALDH1A1TSHRCHRM4
SCHEMBL13510873 0.78 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1TSHRARG1ARG2
SCHEMBL14472771 0.75 — —

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
WO-2009097349-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2009-08-06 — — WO disclosed
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