SCHEMBL8205525

SCHEMBL8205525

CC(CNC(=O)OC(C)(C)C)c1cc(OC2CCCCO2)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.34
ACACA Q13085 3/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR3 Q99500 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
DHFR P00374 1/20 0.33
SLC6A3 Q01959 3/20 0.32
SYK P43405 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8205526 0.82 NPSR1 (0.35) ACACBACACAMEN1KMT2ADHFR
SCHEMBL8198952 0.78 SYK (0.39) ACACBACACAPPARGPPARDPPARA
SCHEMBL6188559 0.75 DHFR (0.34) ACACBMEN1KMT2AS1PR3DHFR
SCHEMBL8197944 0.71 AAK1 (0.40) ACACBACACAPPARGPPARDPPARA
SCHEMBL6188700 0.70 HTT (0.38) MEN1KMT2ADHFR
SCHEMBL6190273 0.68 S1PR3 (0.38) S1PR3CREBBPDHFR
SCHEMBL11767308 0.67 ELANE (0.52) PPARAMEN1KMT2ASMN1; SMN2
SCHEMBL5727243 0.66 PKM (0.46) MEN1KMT2ADHFR
SCHEMBL10830970 0.66 TAS1R3 (0.37) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL8211448 0.66 DHFR (0.36) S1PR3DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed