SCHEMBL13510862

SCHEMBL13510862

CC(C)CCOC(=O)CCN1CCC(CCCC2CCN(CCC(=O)OCCC(C)(C)C)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ARG1 P05089 1/20 0.34
▸ ARG2 P78540 1/20 0.34
▸ CHRM4 P08173 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KCNH2 Q12809 4/20 0.33
▸ CACNA1I Q9P0X4 4/20 0.33
▸ CHRM1 P11229 3/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33

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
SCHEMBL19036251 0.92 SMN1; SMN2 (0.40) SMN1; SMN2CHRM4ALDH1A1TSHRKCNH2
SCHEMBL12181288 0.90 CHRM1 (0.33) SMN1; SMN2ARG1ARG2CHRM4ALDH1A1
SCHEMBL13510873 0.90 SMN1; SMN2 (0.34) SMN1; SMN2ARG1ARG2CHRM4ALDH1A1
SCHEMBL13730325 0.88 SMN1; SMN2 (0.33) SMN1; SMN2ARG1ARG2CHRM4ALDH1A1
SCHEMBL10074652 0.88 CYP19A1 (0.35) SMN1; SMN2ALDH1A1TSHRHRH1TP53
SCHEMBL12181600 0.86 SMN1; SMN2 (0.35) SMN1; SMN2ARG1ARG2CHRM4ALDH1A1
SCHEMBL19036161 0.86 HRH1 (0.41) SMN1; SMN2CHRM4ALDH1A1TSHRKCNH2
SCHEMBL13510860 0.85 SMN1; SMN2 (0.40) SMN1; SMN2CHRM4ALDH1A1TSHRKCNH2
SCHEMBL12650304 0.85 SMN1; SMN2 (0.36) SMN1; SMN2CHRM4KCNH2CACNA1ICHRM1
SCHEMBL464417 0.82 ALDH1A1 (0.38) SMN1; SMN2ARG1ARG2ALDH1A1TSHR

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-2010021973-A2 CONTROLLED DELIVERY OF BIOACTIVE AGENTS FROM DECOMPOSABLE FILMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-25 — — WO disclosed
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