SCHEMBL9115508

SCHEMBL9115508

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.65
ITGB2 P05107 5/20 0.65
ICAM1 P05362 5/20 0.65
ITGAL P20701 5/20 0.65
ACE P12821 4/20 0.64
SMN1; SMN2 Q16637 1/20 0.63
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

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
SCHEMBL9115505 1.00 ALOX15 (0.65) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL8710928 0.89 SMN1; SMN2 (0.68) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL150050 0.89 ALOX15 (0.65) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL29773000 0.89 ALOX15 (0.65) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL22654181 0.89 ALOX15 (0.65) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL8710933 0.89 SMN1; SMN2 (0.68) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL3451205 0.88 ALOX15 (0.67) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL22127126 0.88 ALOX15 (0.64) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL5123003 0.88 ALOX15 (0.67) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL3451206 0.88 ALOX15 (0.67) ALOX15ITGB2ICAM1ITGALACE

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
US-11878002-B2 Methods and materials for using Ruminococcus gnavus or Clostridium sporogenes to treat gastrointestinal disorders MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2024-01-23 US disclosed
US-10993930-B2 Methods and materials for using Ruminococcus gnavus or Clostridium sporogenes to treat gastrointestinal disorders MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-05-04 US disclosed
US-10300043-B2 Method for treating a gastrointestinal disorder in a mammal using bacteroides thetaiotaomicron and compositions thereof MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-05-28 US disclosed
US-20170042860-A1 METHODS AND MATERIALS FOR USING RUMINOCOCCUS GNAVUS OR CLOSTRIDIUM SPOROGENES TO TREAT GASTROINTESTINAL DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-16 US disclosed
WO-1995011878-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-05-04 WO disclosed