SCHEMBL13510873

SCHEMBL13510873

CC(C)CCCOC(=O)CCN1CCC(CCCC2CCN(CCC(=O)OCCCC(C)(C)C)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ARG1 P05089 1/20 0.34
▸ ARG2 P78540 1/20 0.34
▸ NAAA Q02083 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KCNH2 Q12809 3/20 0.32
▸ CACNA1I Q9P0X4 3/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32

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
SCHEMBL13510860 0.92 SMN1; SMN2 (0.40) SMN1; SMN2NAAAALDH1A1TSHRKCNH2
SCHEMBL13510862 0.90 SMN1; SMN2 (0.35) SMN1; SMN2ARG1ARG2ALDH1A1TSHR
SCHEMBL13510585 0.86 MAPT (0.36) SMN1; SMN2ARG1ARG2NAAAALDH1A1
SCHEMBL19036251 0.85 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TSHRKCNH2CACNA1I
SCHEMBL15138014 0.85 SMN1; SMN2 (0.35) SMN1; SMN2KCNH2CACNA1ICHRM4CHRM1
SCHEMBL19036161 0.82 HRH1 (0.41) SMN1; SMN2ALDH1A1TSHRKCNH2CHRM4
SCHEMBL12181288 0.82 CHRM1 (0.33) SMN1; SMN2ARG1ARG2NAAAALDH1A1
SCHEMBL12181600 0.81 SMN1; SMN2 (0.35) SMN1; SMN2ARG1ARG2ALDH1A1TSHR
SCHEMBL12650304 0.79 SMN1; SMN2 (0.36) SMN1; SMN2KCNH2CACNA1ICHRM4CHRM1
SCHEMBL10036917 0.79 HRH1 (0.45) SMN1; SMN2ALDH1A1TSHRKCNH2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012149492-A1 COATING COMPOSITIONS, METHODS AND COATED DEVICES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-01 — — WO disclosed
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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