SCHEMBL6601685

SCHEMBL6601685

CC(C)CC([C]=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
PSMB5 P28074 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ANPEP P15144 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP8 P22894 1/20 0.40
GAA P10253 1/20 0.39
MME P08473 1/20 0.39
ACP3 P15309 1/20 0.39

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
SCHEMBL6601690 1.00 SIGMAR1 (0.49) SIGMAR1PSMB5ALDH1A1MEN1KMT2A
SCHEMBL3713615 0.82 SIGMAR1 (0.47) SIGMAR1MEN1KMT2APOLBMAPT
SCHEMBL7275121 0.79 SIGMAR1 (0.43) SIGMAR1MEN1KMT2APOLBANPEP
SCHEMBL8399376 0.79 SIGMAR1 (0.43) SIGMAR1MEN1KMT2APOLBMAPT
SCHEMBL7275120 0.79 SIGMAR1 (0.43) SIGMAR1MEN1KMT2APOLBANPEP
SCHEMBL7346313 0.78 SIGMAR1 (0.55) SIGMAR1ALDH1A1MEN1KMT2APOLB
SCHEMBL7746605 0.78 SIGMAR1 (0.55) SIGMAR1ALDH1A1MEN1KMT2APOLB
SCHEMBL8399378 0.76 GAA (0.44) SIGMAR1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL13995594 0.76 SIGMAR1 (0.74) SIGMAR1ALDH1A1POLB
SCHEMBL13995225 0.76 SIGMAR1 (0.74) SIGMAR1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923569-B1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 US disclosed
EP-0923569-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-06-23 EP disclosed
WO-1998006711-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed