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SCHEMBL17895652

SCHEMBL17895652

CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC(C)(C)N1OC1CCCCC1.CCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EPHX2 P34913 5/20 0.37
▸ DGKA P23743 1/20 0.34

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
SCHEMBL19720354 0.97 NAAA (0.52) NAAASMN1; SMN2EPHX2
SCHEMBL20194432 0.93 NAAA (0.66) NAAASMN1; SMN2DGKA
SCHEMBL1232050 0.93 NAAA (0.66) NAAASMN1; SMN2DGKA
SCHEMBL30104101 0.93 NAAA (0.50) NAAASMN1; SMN2EPHX2
SCHEMBL9371596 0.91 NAAA (0.49) NAAASMN1; SMN2EPHX2
SCHEMBL12201034 0.90 NAAA (0.52) NAAAEPHX2DGKA
SCHEMBL7474207 0.90 NAAA (0.52) NAAAEPHX2DGKA
SCHEMBL15389142 0.90 NAAA (0.52) NAAAEPHX2DGKA
SCHEMBL14707369 0.90 NAAA (0.52) NAAAEPHX2DGKA
SCHEMBL10465276 0.90 NAAA (0.52) NAAAEPHX2DGKA

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-2016109789-A1 CANDLE WAX COMPOSITIONS STABILIZED WITH UV ABSORBERS AND SELECT HINDERED AMINE LIGHT STABILIZERS BASF SE (DE) 2016-07-07 — — WO disclosed