SCHEMBL8210587

SCHEMBL8210587

CC(C)(C)OC(=O)NCCCc1cccc(C(O)c2cc(Cl)ccc2NCc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 6/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8210584 0.86 MAPT (0.37) RAB9AKMT2AMEN1LMNAMAPT
SCHEMBL6187402 0.84 MAPT (0.40) ALDH1A1RAB9AKMT2AMEN1LMNA
SCHEMBL8206799 0.81 KDM4E (0.42) ALDH1A1LMNAMAPTTSHRMAPK1
SCHEMBL6189547 0.81 MRGPRX4 (0.41) LMNAMAPTGAACYP1A2CYP2C9
SCHEMBL6191680 0.81 GAA (0.41) LMNAMAPTL3MBTL1GAACYP1A2
SCHEMBL27513415 0.80 RAB9A (0.37) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL6188662 0.80 GAA (0.40) ALDH1A1RAB9AGAA
SCHEMBL6188620 0.79 HPGD (0.40) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL6192565 0.77 BCL2 (0.46) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL6186419 0.76 HDAC1 (0.43) ALDH1A1LMNAMAPTGAAHSD17B10

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