SCHEMBL6587329

SCHEMBL6587329

CC(C)(C)OC(=O)c1ccc(CN(C(=O)OC(C)(C)C)C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.45
MTNR1A P48039 1/20 0.45
HSD11B1 P28845 4/20 0.45
HDAC3 O15379 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
GPR119 Q8TDV5 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
KDM1A O60341 2/20 0.38

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
SCHEMBL2401141 0.93 MEN1 (0.46) AGERMTNR1AHSD11B1HDAC3HDAC8
SCHEMBL3117999 0.90 AGER (0.48) AGERMTNR1AHSD11B1HDAC3HDAC8
SCHEMBL18172734 0.89 HDAC8 (0.45) HSD11B1HDAC3HDAC8HDAC6GPR119
SCHEMBL18173247 0.88 HSD11B1 (0.43) HSD11B1HDAC3HDAC8HDAC6GPR119
SCHEMBL21088550 0.87 HTR2A (0.44) AGERMTNR1AHSD11B1HDAC3HDAC8
SCHEMBL3143765 0.86 HSD11B1 (0.43) AGERMTNR1AHSD11B1HDAC3HDAC8
SCHEMBL18617685 0.86 HDAC6 (0.49) HSD11B1HDAC3HDAC8HDAC6GPR119
SCHEMBL2586550 0.86 HSD11B1 (0.43) AGERMTNR1AHSD11B1HDAC3HDAC8
SCHEMBL27884072 0.86 AGER (0.54) AGERMTNR1AHSD11B1HDAC3HDAC1
SCHEMBL24619470 0.83 HDAC8 (0.48) AGERMTNR1AHSD11B1HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169338-B1 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES ABBOTT GMBH & CO KG (DE) 2004-11-03 EP disclosed
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
CN-1351609-A Low molecular weight complement protease inhibitors BASF AG (DE) 2002-05-29 CN disclosed