SCHEMBL7079482

SCHEMBL7079482

O=C(O)OC(=O)NSC1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.32
RAB9A P51151 4/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
GAA P10253 1/20 0.30
NPC1 O15118 2/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
EPHX2 P34913 1/20 0.30
KMT2A Q03164 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
SCHEMBL6682855 0.81 ALDH1A1 (0.33) EPHX1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL11571466 0.77 SMN1; SMN2 (0.41) EPHX1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL3077535 0.74 SMN1; SMN2 (0.42) EPHX1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL27516992 0.71 EPHX1 (0.37) EPHX1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3073955 0.71 ALDH1A1 (0.37) EPHX1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL11485949 0.71 EPHX1 (0.34) EPHX1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6830607 0.69 EPHX1 (0.33) EPHX1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL27517633 0.69 TSHR (0.34) EPHX1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL11705676 0.68 ALDH1A1 (0.35) EPHX1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL11382125 0.68 NPC1 (0.37) EPHX1RAB9AALDH1A1SMN1; SMN2NPC1

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-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed