SCHEMBL7693060

SCHEMBL7693060

O=C(/C=C/c1ccc(S)c(Cl)c1)N1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.78
NPC1 O15118 6/20 0.78
TDP1 Q9NUW8 1/20 0.78
L3MBTL1 Q9Y468 2/20 0.67
ITGAL P20701 7/20 0.65
ITGB2 P05107 6/20 0.65
ICAM1 P05362 6/20 0.65
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAOB P27338 1/20 0.60
TRPV1 Q8NER1 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL10459439 0.88 RAB9A (1.00) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL10459440 0.88 RAB9A (1.00) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL13879634 0.81 RAB9A (0.73) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL10458324 0.80 RAB9A (1.00) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL10458323 0.80 RAB9A (1.00) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL20866524 0.78 TRPV1 (0.72) RAB9ANPC1TDP1L3MBTL1ALDH1A1
SCHEMBL2484738 0.78 TRPV1 (0.72) RAB9ANPC1TDP1L3MBTL1ALDH1A1
SCHEMBL23388475 0.76 RAB9A (0.66) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL14441234 0.76 KDM4E (0.87) RAB9ANPC1TDP1L3MBTL1ITGAL
SCHEMBL20866523 0.75 KDM4E (1.00) RAB9ANPC1TDP1ALDH1A1HPGD

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
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed