SCHEMBL5330628

SCHEMBL5330628

CC(C)(C)OC(=O)NC1CCCC1(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
KCNA3 P22001 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
AKT1 P31749 2/20 0.39
EPHX2 P34913 1/20 0.38
GRIN2B Q13224 1/20 0.38
ATM Q13315 1/20 0.37
ACE P12821 1/20 0.37
BTK Q06187 1/20 0.37
CTSK P43235 2/20 0.37
DRD2 P14416 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37

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
SCHEMBL2496332 0.89 CACNA1B (0.41) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL14691121 0.77 MAPT (0.38) KMT2AL3MBTL1KDM1AMAOBNFKB1
SCHEMBL5048259 0.76 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL25982239 0.76 KMT2A (0.45) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL25982165 0.76 KMT2A (0.45) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL960725 0.75 KMT2A (0.45) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL4980874 0.74 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL741638 0.74 KMT2A (0.47) KMT2AL3MBTL1CTSL
SCHEMBL3077333 0.74 EPHX1 (0.40) KMT2AL3MBTL1KDM1AMAOBCA1
SCHEMBL19559839 0.74 ADRB2 (0.52) KMT2AL3MBTL1CA12CA1CA7

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
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO disclosed