SCHEMBL6907575

SCHEMBL6907575

O=C(O)NC1CCC(NCNC2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
EPHX2 P34913 2/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4017458 0.85 EPHX1 (0.67) EPHX1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL740145 0.85 EPHX1 (0.67) EPHX1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4017465 0.85 EPHX1 (0.67) EPHX1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28034199 0.85 EPHX1 (0.67) EPHX1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL529370 0.85 EPHX1 (0.67) EPHX1SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11155165 0.83 EPHX1 (0.64) EPHX1SMN1; SMN2NPC1RAB9AALDH1A1
Bromide SCHEMBL31210076 0.83 EPHX1 (0.64) EPHX1SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11512953 0.83 EPHX1 (0.64) EPHX1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL374902 0.82
SCHEMBL23573479 0.81 EPHX1 (0.77) EPHX1SMN1; SMN2NPC1RAB9AALDH1A1

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-6713563-B2 CURING WITH SUCH AS DICUMYL PEROXIDE AND TRIMETHALLYL ISOCYANURATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2004-03-30 US claimed
US-20030187143-A1 Electrostrictive poly(vinylidene fluoride-co-trifluoroethylene) networks THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2003-10-02 US claimed