SCHEMBL7415827

SCHEMBL7415827

NCCCC[C@@H](NC(=O)c1cccnc1)C(=O)NO

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.52
HDAC1 Q13547 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC4 P56524 5/20 0.51
HDAC3 O15379 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
MEF2D Q14814 2/20 0.51
LMNA P02545 1/20 0.46
ADAM17 P78536 1/20 0.45
THRB P10828 1/20 0.45
EPHX2 P34913 1/20 0.44
ECE1 P42892 1/20 0.44
CTSB P07858 1/20 0.43

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
SCHEMBL27536574 1.00 GRIA1 (0.52) GRIA1HDAC1HDAC6HDAC4HDAC3
SCHEMBL1133842 0.88 LMNA (0.51) GRIA1HDAC1HDAC6HDAC4HDAC3
SCHEMBL210916 0.88 LMNA (0.51) GRIA1HDAC1HDAC6HDAC4HDAC3
SCHEMBL2121460 0.88 LMNA (0.51) GRIA1HDAC1HDAC6HDAC4HDAC3
SCHEMBL7471460 0.86 HDAC1 (0.58) GRIA1HDAC1HDAC6HDAC3HDAC2
SCHEMBL27543249 0.86 HDAC1 (0.58) GRIA1HDAC1HDAC6HDAC3HDAC2
SCHEMBL7411072 0.84 CTSB (0.57) HDAC1HDAC6HDAC4HDAC3HDAC7
SCHEMBL27544597 0.84 CTSB (0.57) HDAC1HDAC6HDAC4HDAC3HDAC7
SCHEMBL6524155 0.84 ERAP2 (0.49) GRIA1HDAC1HDAC6HDAC4HDAC3
SCHEMBL6524153 0.84 ERAP2 (0.49) GRIA1HDAC1HDAC6HDAC4HDAC3

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
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed