SCHEMBL8740392

SCHEMBL8740392

O=C(c1ccccc1)[C@@]1(O)[C@@H](C(O)Cc2ccccc2)O[C@H](Br)[C@@]1(O)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 7/20 0.38
MDM2 Q00987 1/20 0.38
CYP1A2 P05177 1/20 0.34
PSMB5 P28074 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL8740420 0.81 CTRB1 (0.36) CTRB1MDM2PSMB5NPC1RAB9A
SCHEMBL10399319 0.80 CES2 (0.36) MDM2NPC1RAB9A
SCHEMBL10399320 0.80 CES2 (0.36) MDM2NPC1RAB9A
SCHEMBL9094342 0.71 MDM2 (0.35) CTRB1MDM2
SCHEMBL8082584 0.70 GRIN2D (0.30)
SCHEMBL5741827 0.70 GRIN2D (0.30)
SCHEMBL11102997 0.70 MDM2 (0.32) CTRB1MDM2
SCHEMBL8822163 0.69 CES2 (0.33) NPC1RAB9A
SCHEMBL1359575 0.67 GRIN2D (0.32) CYP1A2
Hydrochloric Acid SCHEMBL28792392 0.67 CES2 (0.36) MDM2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647139-A4 ADHESIN-OLIGOSACCHARIDE CONJUGATE VACCINE FOR -i(HAEMOPHILUS INFLUENZAE). MICROCARB INC (US) 1997-09-03 EP disclosed
EP-0565590-A4 ADHESIN-OLIGOSACCHARIDE CONJUGATE VACCINE FOR -i(HAEMOPHILUS INFLUENZAE). MICROCARB INC (US) 1995-07-05 EP disclosed
EP-0647139-A1 ADHESIN-OLIGOSACCHARIDE CONJUGATE VACCINE FOR $i(HAEMOPHILUS INFLUENZAE) MICROCARB, INC. (US) 1995-04-12 EP disclosed
EP-0565590-A1 ADHESIN-OLIGOSACCHARIDE CONJUGATE VACCINE FOR $i(HAEMOPHILUS INFLUENZAE) MicroCarb Inc. (US) 1993-10-20 EP disclosed
WO-1992010936-A1 ADHESIN-OLIGOSACCHARIDE CONJUGATE VACCINE FOR $i(HAEMOPHILUS INFLUENZAE) MICROCARB, INC. (US) 1992-07-09 WO disclosed