SCHEMBL6032015

SCHEMBL6032015

CCCCCCCCC=CCCCCCCCCOCCC(N)OC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.49
CES1 P23141 2/20 0.49
P2RY10 O00398 2/20 0.46
CES2 O00748 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G4B P0C869 1/20 0.44
MAPT P10636 1/20 0.44
PLA2G4A P47712 1/20 0.44
BLM P54132 1/20 0.44
MGLL Q99685 1/20 0.44
PLA2G4C Q9UP65 1/20 0.44
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SOAT1 P35610 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL9116979 0.92 CES2 (0.51) FAAHCES1CES2MAPTMEN1
SCHEMBL9443027 0.81 CES2 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29282406 0.79 GRIK1 (0.44) FAAHCES1CES2MAPTMEN1
SCHEMBL28283750 0.79 GRIK1 (0.44) FAAHCES1CES2MAPTMEN1
SCHEMBL2158216 0.78 GRIK1 (0.42) FAAHCES1CES2MAPTMEN1
SCHEMBL29029033 0.76 FAAH (0.54) FAAHCES1CES2ALDH1A1PLA2G4B
SCHEMBL3963136 0.76 GRIK1 (0.41) FAAHCES1CES2MAPTMEN1
SCHEMBL28317076 0.76 SLC1A2 (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5597178 0.75 CES2 (0.49) CES2MAPTMEN1CYP1A2CYP3A4
SCHEMBL28365424 0.75 FAAH (0.58) FAAHCES1CES2ALDH1A1PLA2G4B

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
CN-115569151-A Adipose tissue-derived stromal stem cells for the treatment of refractory, complex perianal fistulas in crohn's disease 武田药品工业株式会社 2023-01-06 CN disclosed
CN-108883135-B Adipose tissue-derived stromal stem cells for the treatment of refractory, complex perianal fistulas in crohn's disease 武田药品工业株式会社 2022-11-04 CN disclosed
CN-106573017-B Mesenchymal stromal cells for the treatment of sepsis 泰根尼克斯独资有限公司 2021-06-11 CN disclosed
US-7070807-B2 Branched histidine copolymers and methods for using same MIXSON A JAMES 2006-07-04 US disclosed