SCHEMBL7740158

SCHEMBL7740158

C#CCC(CC(COCOCCOC)NC(=O)c1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSG P08311 6/20 0.38
CMA1 P23946 5/20 0.38
PRSS1 P07477 4/20 0.38
CTRB1 P17538 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
ALB P02768 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP13 P45452 1/20 0.33
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
TNIK Q9UKE5 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR3 Q99500 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL7740159 1.00 MEN1 (0.39) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7742770 0.91 MEN1 (0.42) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7742759 0.91 MEN1 (0.42) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7741174 0.91 MEN1 (0.38) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7741183 0.91 MEN1 (0.38) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7741223 0.90 MEN1 (0.41) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7741230 0.90 MEN1 (0.41) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7740377 0.86 MEN1 (0.38) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL8122611 0.86 MEN1 (0.38) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7740378 0.86 MEN1 (0.38) MEN1KMT2ACTSGCMA1PRSS1

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