SCHEMBL9698433

SCHEMBL9698433

CCCCCCCCCCCCN1CCSC(=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.44
FAAH O00519 2/20 0.44
GBA1 P04062 1/20 0.40
ALDH1A1 P00352 5/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
PLA2G2A P14555 1/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL8775918 0.80 MGLL (0.43) MGLLFAAHGBA1ALDH1A1ALOX5
SCHEMBL4968832 0.79 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10NPC1RAB9A
SCHEMBL6686488 0.79 ALDH1A1 (0.30) ALDH1A1KMT2AL3MBTL1
SCHEMBL1499885 0.76 MGLL (0.37) MGLLFAAHGBA1ALDH1A1ALOX5
SCHEMBL4974635 0.76 MAPK1 (0.30) MAPK1
SCHEMBL11176239 0.75 ALDH1A1 (0.41) MGLLFAAHGBA1ALDH1A1ALOX5
SCHEMBL11178432 0.75 ALDH1A1 (0.41) MGLLFAAHGBA1ALDH1A1ALOX5
SCHEMBL11185580 0.75 ALDH1A1 (0.41) MGLLFAAHGBA1ALDH1A1ALOX5
SCHEMBL11182379 0.75 ALDH1A1 (0.41) MGLLFAAHGBA1ALDH1A1ALOX5
SCHEMBL11187787 0.75 ALDH1A1 (0.41) MGLLFAAHGBA1ALDH1A1ALOX5

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-1992000286-A1 N-ALKYL 1-OXO AND 1,1-DIOXO 3-THIAMORPHOLINONES AND USES THEREOF AS PERMEATING AGENTS FOR ACTIVE COMPOUNDS IN THERAPEUTICAL AND COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-01-09 WO claimed
WO-1992000286-A1 N-ALKYL 1-OXO AND 1,1-DIOXO 3-THIAMORPHOLINONES AND USES THEREOF AS PERMEATING AGENTS FOR ACTIVE COMPOUNDS IN THERAPEUTICAL AND COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-01-09 WO disclosed