SCHEMBL8710933

SCHEMBL8710933

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
ALOX15 P16050 1/20 0.65
ACE P12821 3/20 0.64
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
APAF1 O14727 1/20 0.62
POLB P06746 1/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
MPO P05164 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
ITGB2 P05107 3/20 0.61
ICAM1 P05362 3/20 0.61
ITGAL P20701 3/20 0.61

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
SCHEMBL8710928 1.00 SMN1; SMN2 (0.68) SMN1; SMN2ALOX15ACEKDM4EMAPT
Konbamidin SCHEMBL6277606 0.90 ALOX15 (0.64) SMN1; SMN2ALOX15ACEKDM4EMAPT
SCHEMBL29773000 0.89 ALOX15 (0.65) SMN1; SMN2ALOX15ACEKDM4EMAPT
SCHEMBL150050 0.89 ALOX15 (0.65) SMN1; SMN2ALOX15ACEKDM4EMAPT
SCHEMBL9115508 0.89 ALOX15 (0.65) SMN1; SMN2ALOX15ACEKDM4EMAPT
SCHEMBL22654181 0.89 ALOX15 (0.65) SMN1; SMN2ALOX15ACEKDM4EMAPT
SCHEMBL9115505 0.89 ALOX15 (0.65) SMN1; SMN2ALOX15ACEKDM4EMAPT
SCHEMBL6010110 0.89 SMN1; SMN2 (0.60) SMN1; SMN2ALOX15ACEKDM4EMAPT
SCHEMBL6010119 0.89 SMN1; SMN2 (0.60) SMN1; SMN2ALOX15ACEKDM4EMAPT
SCHEMBL29171716 0.88 ALOX15 (0.68) SMN1; SMN2ALOX15ACEKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552489-B1 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-03-04 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552489-A2 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed