SCHEMBL15314276

SCHEMBL15314276

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LTA4H P09960 2/20 0.34
▸ LMNA P02545 3/20 0.32
▸ ARG1 P05089 1/20 0.32
▸ ARG2 P78540 1/20 0.32
▸ HRH3 Q9Y5N1 6/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 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 0.93 ARG1 (0.31) SMN1; SMN2LTA4HARG1ARG2
SCHEMBL421373 0.84 ALDH1A1 (0.40) SMN1; SMN2LTA4HLMNAMAPTL3MBTL1
SCHEMBL19102455 0.82 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHRH3MAPTCYP2D6
SCHEMBL13730325 0.82 SMN1; SMN2 (0.33) SMN1; SMN2LTA4HARG1ARG2HTT
SCHEMBL18717218 0.79 HRH3 (0.36) SMN1; SMN2HRH3
SCHEMBL14472771 0.78 — —
SCHEMBL15138014 0.77 SMN1; SMN2 (0.35) SMN1; SMN2HRH3
SCHEMBL13730333 0.76 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL14472607 0.75 — —
SCHEMBL14286498 0.75 APEX1 (0.34) —

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-8557231-B2 Biodegradable poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-15 — — US disclosed
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