SCHEMBL7645932

SCHEMBL7645932

O=C(C=Cc1ccc(Oc2cncc3sccc23)cc1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SELE P16581 6/20 0.70
ICAM1 P05362 5/20 0.70
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
PTGS2 P35354 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7053402 0.82 ICAM1 (1.00) SELEICAM1
SCHEMBL7053399 0.82 ICAM1 (1.00) SELEICAM1
SCHEMBL7052862 0.81 SELE (0.81) SELEICAM1
SCHEMBL7052854 0.81 SELE (0.81) SELEICAM1
SCHEMBL14375112 0.71 RAB9A (0.70) RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14441229 0.68 RAB9A (0.70) RAB9ANPC1L3MBTL1MEN1POLB
SCHEMBL20866527 0.68 RAB9A (0.81) RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28341788 0.67 RAB9A (0.68) RAB9ANPC1L3MBTL1MEN1POLB
SCHEMBL28341787 0.67 RAB9A (0.68) RAB9ANPC1L3MBTL1MEN1POLB
SCHEMBL10458323 0.67 RAB9A (1.00) ICAM1RAB9ANPC1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP claimed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP claimed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO claimed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 WO claimed