SCHEMBL7673457

SCHEMBL7673457

O=Cc1cc(/C=C/C(=O)N2CCOCC2)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.63
ICAM1 P05362 4/20 0.63
ITGAL P20701 4/20 0.63
RAB9A P51151 9/20 0.61
NPC1 O15118 7/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAOB P27338 1/20 0.58
TRPV1 Q8NER1 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
GPR183 P32249 1/20 0.54
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL9652216 0.79 RAB9A (0.73) RAB9ANPC1L3MBTL1TDP1ALDH1A1
SCHEMBL9652221 0.79 RAB9A (0.73) RAB9ANPC1L3MBTL1TDP1ALDH1A1
SCHEMBL2484738 0.77 TRPV1 (0.72) RAB9ANPC1L3MBTL1TDP1ALDH1A1
SCHEMBL20866524 0.77 TRPV1 (0.72) RAB9ANPC1L3MBTL1TDP1ALDH1A1
SCHEMBL10458324 0.76 RAB9A (1.00) ITGB2ICAM1ITGALRAB9ANPC1
SCHEMBL10458323 0.76 RAB9A (1.00) ITGB2ICAM1ITGALRAB9ANPC1
SCHEMBL10459439 0.76 RAB9A (1.00) ITGB2ICAM1ITGALRAB9ANPC1
SCHEMBL10459440 0.76 RAB9A (1.00) ITGB2ICAM1ITGALRAB9ANPC1
SCHEMBL31428532 0.76 RAB9A (0.56) ITGB2ICAM1ITGALRAB9ANPC1
SCHEMBL14441234 0.75 KDM4E (0.87) ITGALRAB9ANPC1L3MBTL1TDP1

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