SCHEMBL13625188

SCHEMBL13625188

O=C(NC1CCCCC1)OCCCCCCCCOC(=O)NC1CCCCC1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.78
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
NAAA Q02083 4/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
EPHX2 P34913 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
ASAH1 Q13510 1/20 0.48

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
SCHEMBL10811922 0.92 EPHX1 (0.68) EPHX1SMN1; SMN2GAAMAPK1HTT
SCHEMBL1690687 0.92 EPHX1 (0.68) EPHX1SMN1; SMN2GAAMAPK1HTT
SCHEMBL28059725 0.92 EPHX1 (0.68) EPHX1SMN1; SMN2GAAMAPK1HTT
SCHEMBL21059112 0.90 EPHX1 (0.69) EPHX1SMN1; SMN2GAAMAPK1HTT
SCHEMBL24905881 0.89 EPHX1 (0.69) EPHX1SMN1; SMN2NAAANPC1RAB9A
SCHEMBL16699820 0.89 EPHX1 (0.69) EPHX1SMN1; SMN2NAAANPC1RAB9A
SCHEMBL12195994 0.88 EPHX1 (1.00) EPHX1NAAAASAH1
SCHEMBL14424446 0.87 EPHX1 (0.67) EPHX1SMN1; SMN2GAAMAPK1HTT
SCHEMBL2801497 0.87 EPHX1 (0.67) EPHX1SMN1; SMN2GAAMAPK1HTT
SCHEMBL5597213 0.87 EPHX1 (0.67) EPHX1SMN1; SMN2GAANAAANPC1

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
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US disclosed
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US disclosed