SCHEMBL7739482

SCHEMBL7739482

CCCC1CCC(C(=O)NCCCC(=O)NO)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSP90AA1 P07900 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PRCP P42785 1/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL7739487 1.00 NAAA (0.48) NAAAGNAI3GNAO1GNAI1CYP1A2
SCHEMBL7740129 0.87 NAAA (0.49) NAAAGNAI3GNAO1GNAI1CYP1A2
SCHEMBL7740128 0.87 NAAA (0.49) NAAAGNAI3GNAO1GNAI1CYP1A2
SCHEMBL7740509 0.83 NAAA (0.44) NAAAGNAI3GNAO1GNAI1HSP90AA1
SCHEMBL7740512 0.83 NAAA (0.44) NAAAGNAI3GNAO1GNAI1HSP90AA1
SCHEMBL31501304 0.80 NAAA (0.58) NAAAKMT2AMEN1HDAC3HDAC1
SCHEMBL24098150 0.79 NAAA (0.68) NAAAGNAI3GNAO1GNAI1CYP1A2
SCHEMBL22134366 0.78 NAAA (0.45) NAAAGNAI3GNAO1GNAI1CYP1A2
SCHEMBL18179835 0.77 CYP1A2 (0.55) NAAAGNAI3GNAO1GNAI1CYP1A2
SCHEMBL22582821 0.77 NAAA (0.55) NAAAGNAI3GNAO1GNAI1CYP1A2

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