SCHEMBL14286142

SCHEMBL14286142

CCC(C)(C)CCC(=O)OCCCCCCOC(=O)CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ DGKA P23743 1/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ DNM1 Q05193 1/20 0.33
▸ NOD1 Q9Y239 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
SCHEMBL14286140 0.98 HTR2C (0.36) HTR2CNAAADGKAKMT2APRSS1
SCHEMBL14048718 0.89 NAAA (0.47) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL14344628 0.87 NAAA (0.44) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL17472303 0.84 CYP19A1 (0.31) —
SCHEMBL13729179 0.84 HTR2C (0.36) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL14472726 0.82 NAAA (0.40) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL15385418 0.82 DGKA (0.46) DGKAKMT2AMAPTDNM1
SCHEMBL14308492 0.82 CA1 (0.44) HTR2CNAAADGKAKMT2APRSS1
SCHEMBL6439025 0.80 NAAA (0.60) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL889159 0.80 NAAA (0.60) HTR2CNAAADGKAPRSS1PRSS2

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
EP-1903068-A1 Biodegradable poly(beta-amino esters) and uses thereof Massachusetts Institute of Technology (MIT) (US) 2008-03-26 — — EP disclosed
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