SCHEMBL19102455

SCHEMBL19102455

CCC(C)(C)CCOC(=O)CCN1CCN(CCC(=O)OCCC(C)(C)CC)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 2/20 0.34
▸ THRA P10827 1/20 0.34
▸ LMNA P02545 5/20 0.34
▸ HRH2 P25021 2/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DGKA P23743 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ADRA2C P18825 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
SCHEMBL13730333 0.90 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL14286498 0.89 APEX1 (0.34) —
SCHEMBL14472607 0.89 — —
SCHEMBL18862484 0.84 HRH2 (0.41) SMN1; SMN2ALDH1A1MAPTTHRBTHRA
SCHEMBL23619608 0.82 THRB (0.33) MAPTTHRBTHRAHRH2HRH1
SCHEMBL15314276 0.82 SMN1; SMN2 (0.35) SMN1; SMN2MAPTLMNACYP2D6HRH3
SCHEMBL21125866 0.82 HRH2 (0.40) SMN1; SMN2ALDH1A1MAPTTHRBHRH2
SCHEMBL674334 0.79 ALDH1A1 (0.46) SMN1; SMN2TP53ALDH1A1MAPTTHRB
SCHEMBL419258 0.79 ALDH1A1 (0.46) SMN1; SMN2TP53ALDH1A1MAPTTHRB
SCHEMBL12788551 0.79 LMNA (0.41) SMN1; SMN2TP53ALDH1A1MAPTLMNA

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-9700627-B2 Biodegradable poly (beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-11 — — US disclosed
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