SCHEMBL7533307

SCHEMBL7533307

NCCCCCCCC(N)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
DPP7 Q9UHL4 2/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 1/20 0.51
MMP2 P08253 3/20 0.50
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 1/20 0.45
CPB2 Q96IY4 2/20 0.42
ADRA2C P18825 1/20 0.41
F2 P00734 1/20 0.41
MDM2 Q00987 1/20 0.41
MMP9 P14780 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL16553896 1.00 GSR (0.53) GSRDPP7DPP8DPP9MMP2
SCHEMBL9631019 0.98 GSR (0.55) GSRDPP7DPP8DPP9MMP2
SCHEMBL28992842 0.98 GSR (0.55) GSRDPP7DPP8DPP9MMP2
SCHEMBL9630987 0.93 GSR (0.47) GSRDPP7DPP8DPP9MMP2
Pyrophosphoric Acid SCHEMBL29018593 0.88 DPP7 (0.46) GSRDPP7DPP8DPP9MMP2
SCHEMBL2460853 0.85 MDM2 (0.46) TDP1POLBKMT2AMDM2LMNA
SCHEMBL9344802 0.85 CES2 (0.50) MMP2TDP1POLBKMT2AMMP9
SCHEMBL28574985 0.85 CES2 (0.50) MMP2TDP1POLBKMT2AMMP9
Hydrochloric Acid SCHEMBL928942 0.83 MMP2 (0.49) MMP2TDP1POLBKMT2AMMP9
SCHEMBL29387120 0.83 AKR1C3 (0.46) GSRDPP7DPP8DPP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002016644-A1 INHIBITION OF PROTEIN-PROTEIN INTERACTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-02-28 WO disclosed