SCHEMBL20194422

SCHEMBL20194422

CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(I)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 3/20 0.33
PRKCA P17252 1/20 0.31
TP53 P04637 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
SCHEMBL19937354 0.92 GAA (0.42) NAAASMN1; SMN2GAAHTTMEN1
SCHEMBL30595298 0.92 NAAA (0.47) NAAASMN1; SMN2GAAHTTMEN1
SCHEMBL12382052 0.92 NAAA (0.47) NAAASMN1; SMN2GAAHTTMEN1
SCHEMBL6905751 0.92 NAAA (0.47) NAAASMN1; SMN2GAAHTTMEN1
SCHEMBL755468 0.92 NAAA (0.47) NAAASMN1; SMN2GAAHTTMEN1
SCHEMBL30595294 0.92 NAAA (0.47) NAAASMN1; SMN2GAAHTTMEN1
Hydrochloric Acid SCHEMBL5504535 0.91 SMN1; SMN2 (0.49) NAAASMN1; SMN2GAAHTTMEN1
SCHEMBL316372 0.91 SMN1; SMN2 (0.47) NAAASMN1; SMN2GAAHTTMEN1
SCHEMBL18432892 0.88 NAAA (0.42) NAAASMN1; SMN2GAAMEN1KMT2A
SCHEMBL26083006 0.88 NAAA (0.42) NAAASMN1; SMN2GAAHTTMEN1

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
EP-3327103-A1 LIQUID CRYSTAL MEDIUM, METHOD FOR THE STABILISATION THEREOF AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2018-05-30 EP disclosed
EP-3327102-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2018-05-30 EP disclosed