SCHEMBL7740512

SCHEMBL7740512

C[C@H]1CC[C@H](C(=O)NCCCC(=O)NO)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
HDAC8 Q9BY41 8/20 0.42
HDAC3 O15379 6/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC2 Q92769 6/20 0.42
HDAC6 Q9UBN7 6/20 0.42
HDAC5 Q9UQL6 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC4 P56524 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
NCOR2 Q9Y618 1/20 0.39
POLB P06746 1/20 0.38
PRCP P42785 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7740509 1.00 NAAA (0.44) NAAAHDAC8HDAC3HDAC1HDAC2
SCHEMBL31501304 0.83 NAAA (0.58) NAAAHDAC8HDAC3HDAC1HDAC2
SCHEMBL7739816 0.83 NAAA (0.46) NAAAGNAI3GNAO1GNAI1POLB
SCHEMBL7739813 0.83 NAAA (0.46) NAAAGNAI3GNAO1GNAI1POLB
SCHEMBL7739482 0.83 NAAA (0.48) NAAAHDAC8HDAC3HDAC1HDAC2
SCHEMBL7739487 0.83 NAAA (0.48) NAAAHDAC8HDAC3HDAC1HDAC2
SCHEMBL15431471 0.80 NAAA (0.49) NAAAGNAI3GNAO1GNAI1POLB
SCHEMBL19093034 0.80 NAAA (0.62) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL31501321 0.79 NAAA (0.61) NAAAHDAC8HDAC3HDAC1HDAC2
SCHEMBL24982662 0.77 NAAA (0.51) NAAAGNAI3GNAO1GNAI1POLB

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
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 claimed
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