SCHEMBL9905595

SCHEMBL9905595

CCC(=O)NCCCC(NC(=O)CC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NOD1 Q9Y239 6/20 0.51
C3AR1 Q16581 1/20 0.46
FOLH1 Q04609 1/20 0.45
GNPAT O15228 1/20 0.42
EPHX2 P34913 1/20 0.41
RECQL P46063 1/20 0.41
ALB P02768 2/20 0.41
GLP1R P43220 3/20 0.40

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
SCHEMBL6002349 1.00 MEN1 (0.55) MEN1KMT2ANOD1C3AR1FOLH1
SCHEMBL14217259 0.95 MEN1 (0.59) MEN1KMT2ANOD1FOLH1EPHX2
SCHEMBL4186386 0.88 C3AR1 (0.59) MEN1KMT2ANOD1C3AR1FOLH1
SCHEMBL4186382 0.88 C3AR1 (0.59) MEN1KMT2ANOD1C3AR1FOLH1
SCHEMBL24602814 0.86 NOD1 (0.63) NOD1EPHX2GLP1R
SCHEMBL2338931 0.85 C3AR1 (0.47) MEN1KMT2ANOD1C3AR1FOLH1
SCHEMBL2338925 0.85 C3AR1 (0.47) MEN1KMT2ANOD1C3AR1FOLH1
SCHEMBL15871316 0.85 ALB (0.56) MEN1KMT2ANOD1FOLH1GNPAT
SCHEMBL24418072 0.83 FOLH1 (0.48) MEN1KMT2ANOD1FOLH1EPHX2
SCHEMBL6668178 0.83 NOD1 (0.62) NOD1GNPAT

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-2648735-A2 GRANZYME B INHIBITOR COMPOSITIONS, METHODS AND USES FOR PROMOTING WOUND HEALING The University Of British Columbia (CA) 2013-10-16 EP claimed
WO-2012076985-A2 GRANZYME B INHIBITOR COMPOSITIONS, METHODS AND USES FOR PROMOTING WOUND HEALING THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-06-14 WO claimed
EP-2648735-A2 GRANZYME B INHIBITOR COMPOSITIONS, METHODS AND USES FOR PROMOTING WOUND HEALING The University Of British Columbia (CA) 2013-10-16 EP disclosed
WO-2012076985-A2 GRANZYME B INHIBITOR COMPOSITIONS, METHODS AND USES FOR PROMOTING WOUND HEALING THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-06-14 WO disclosed