SCHEMBL9217465

SCHEMBL9217465

CC(CC(=O)OCc1ccccc1)NC(=O)CCNC(=O)c1ccc(C(=N)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MASP2 O00187 2/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 2/20 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
SCHEMBL7300054 1.00 L3MBTL1 (0.43) L3MBTL1MASP2HDAC3HDAC4HDAC1
SCHEMBL7299527 0.88 ITGB3 (0.44) MASP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9221804 0.88 ITGB3 (0.44) MASP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7306359 0.86 PRSS1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7296073 0.82 ITGB3 (0.43) L3MBTL1MASP2HDAC3HDAC4HDAC1
SCHEMBL7305320 0.82 HDAC6 (0.45) MASP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9223556 0.82 SMN1; SMN2 (0.43) MASP2HDAC2HDAC8HDAC6RAB9A
SCHEMBL7305313 0.81 HDAC6 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9335659 0.81 HDAC1 (0.48) MASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7331153 0.80 HDAC6 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed