SCHEMBL7742759

SCHEMBL7742759

COCCOCOCC(CC(COC)C(=O)O)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSG P08311 5/20 0.40
CMA1 P23946 5/20 0.40
PRSS1 P07477 4/20 0.40
CTRB1 P17538 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ALB P02768 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL7742770 1.00 MEN1 (0.42) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7741230 0.97 MEN1 (0.41) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7741223 0.97 MEN1 (0.41) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL6298307 0.93 MEN1 (0.41) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL6304829 0.93 MEN1 (0.41) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL6298311 0.93 MEN1 (0.41) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7740159 0.91 MEN1 (0.39) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7740158 0.91 MEN1 (0.39) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7740994 0.91 CTSG (0.44) MEN1KMT2ACTSGCMA1PRSS1
SCHEMBL7741000 0.91 CTSG (0.44) 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 3 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
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