SCHEMBL7078828

SCHEMBL7078828

NC(=O)C(C(N)=S)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALOX5 P09917 1/20 0.31
KIF11 P52732 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
SCHEMBL6896951 0.89 ALDH1A1 (0.39) EPHX1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL6685677 0.89 ALDH1A1 (0.39) EPHX1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL7080108 0.86 EPHX1 (0.41) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29013937 0.84 EPHX1 (0.39) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27960380 0.84 EPHX1 (0.37) EPHX1CES2CES1ALOX5
Hydrochloric Acid SCHEMBL4532340 0.82 EPHX1 (0.38) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL28465427 0.82 EPHX1 (0.38) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL4532336 0.82 EPHX1 (0.38) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27844046 0.80 EPHX1 (0.37) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27573596 0.78 EPHX1 (0.35) EPHX1CES2CES1ALOX5

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
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed