SCHEMBL6830607

SCHEMBL6830607

O=C(O)OC(=O)SC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL6685026 0.89 EPHX1 (0.37) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6683030 0.81 EPHX1 (0.32) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6832554 0.79 EPHX1 (0.31) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6830058 0.78 EPHX1 (0.30) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7081738 0.78 EPHX1 (0.30) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7739914 0.76 EPHX1 (0.41) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7076784 0.75
SCHEMBL3777071 0.74 CES2 (0.39) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6685928 0.72
SCHEMBL592693 0.72 CES2 (0.38) EPHX1NPC1RAB9ASMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed