SCHEMBL6589334

SCHEMBL6589334

CC(C)(C)OC(=O)c1ccc(CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)O)C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.39
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ STAT3 P40763 2/20 0.34

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
SCHEMBL6587329 0.78 AGER (0.45) GPR119HDAC1HDAC3HDAC2NCOR2
SCHEMBL6587980 0.75 HTR2C (0.38) GPR119HDAC1HDAC3HDAC2NCOR2
SCHEMBL6589364 0.74 MEN1 (0.43) GPR119SIRT2SIRT1JAK2JAK1
SCHEMBL2401141 0.71 MEN1 (0.46) HDAC1HDAC3HDAC2NCOR2HSD11B1
SCHEMBL2546335 0.71 JAK2 (0.40) GPR119HDAC1HDAC3HDAC2NCOR2
SCHEMBL2546336 0.71 JAK2 (0.40) GPR119HDAC1HDAC3HDAC2NCOR2
SCHEMBL2547511 0.71 HDAC3 (0.37) HDAC1HDAC3HDAC2NCOR2NR1H4
SCHEMBL6593681 0.71 EPHX1 (0.40) GPR119HDAC1HDAC3HDAC2NCOR2
SCHEMBL2547508 0.71 HDAC3 (0.37) HDAC1HDAC3HDAC2NCOR2NR1H4
SCHEMBL3117999 0.71 AGER (0.48) GPR119HDAC1HDAC3HDAC2NCOR2

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-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
Send feedback