SCHEMBL7742778

SCHEMBL7742778

CNC(=O)[C@@H](CCC(=O)NO)NC(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.46
HDAC6 Q9UBN7 7/20 0.46
HDAC3 O15379 7/20 0.46
HDAC2 Q92769 7/20 0.46
HDAC8 Q9BY41 7/20 0.46
HDAC10 Q969S8 6/20 0.46
HDAC11 Q96DB2 6/20 0.46
HDAC4 P56524 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46
HDAC5 Q9UQL6 5/20 0.46
BMP1 P13497 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADAMTS4 O75173 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
NCOR2 Q9Y618 2/20 0.43
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7740886 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7740882 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7742672 0.89 ADAMTS5 (0.54) BMP1MEN1KMT2ASMN1; SMN2ADAMTS4
SCHEMBL7740298 0.89 ADAMTS5 (0.54) BMP1MEN1KMT2ASMN1; SMN2ADAMTS4
SCHEMBL7740302 0.89 ADAMTS5 (0.54) BMP1MEN1KMT2ASMN1; SMN2ADAMTS4
SCHEMBL7740201 0.86 CA2 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7740198 0.86 CA2 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7740169 0.82 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7740174 0.82 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7742744 0.82 HDAC1 (0.52) HDAC1HDAC6HDAC2HDAC8MEN1

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
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed