SCHEMBL6682855

SCHEMBL6682855

O=C(O)OC(=O)NSSC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.31
NPC1 O15118 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
SCHEMBL7079482 0.81 EPHX1 (0.32) ALDH1A1RAB9AGAASMN1; SMN2EPHX1
SCHEMBL3072015 0.80 EPHX1 (0.32) ALDH1A1RAB9AEPHX1NPC1
SCHEMBL3062293 0.75
SCHEMBL3072818 0.71
SCHEMBL3077097 0.69
SCHEMBL6830607 0.67 EPHX1 (0.33) ALDH1A1RAB9ASMN1; SMN2EPHX1NPC1
SCHEMBL3065204 0.67
Biphenyl SCHEMBL909901 0.62 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2EPHX1NPC1
SCHEMBL11571466 0.62 SMN1; SMN2 (0.41) ALDH1A1RAB9AGAASMN1; SMN2EPHX1
SCHEMBL11610501 0.62 EPHX1 (0.38) ALDH1A1RAB9ASMN1; SMN2EPHX1NPC1

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-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed