SCHEMBL8712701

SCHEMBL8712701

CC(C)(C)OC(=O)N1CCC(CCCCS(=O)(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.58
FAAH O00519 1/20 0.49
RECQL P46063 1/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8716485 0.96 GPR119 (0.57) GPR119FAAHRECQLHPGDKDM4E
SCHEMBL7872366 0.90 GPR119 (0.53) GPR119FAAHRECQLHPGDKDM4E
SCHEMBL31597043 0.88 GPR119 (0.61) GPR119FAAHHPGDKDM4EPKM
SCHEMBL15085741 0.85 GPR119 (0.59) GPR119FAAHRECQLHPGDKDM4E
SCHEMBL7512359 0.82 GPR119 (0.56) GPR119FAAHRECQLHPGDKDM4E
SCHEMBL1576008 0.82 GPR119 (0.56) GPR119FAAHRECQLHPGDKDM4E
SCHEMBL7655298 0.82 GPR119 (0.51) GPR119RECQLHPGDKDM4EPKM
SCHEMBL23499817 0.81 GPR119 (0.57) GPR119FAAHRECQLHPGDKDM4E
SCHEMBL7417693 0.81 GPR119 (0.55) GPR119FAAHRECQLHPGDKDM4E
SCHEMBL20128944 0.81 GPR119 (0.57) GPR119FAAHRECQLHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP disclosed