SCHEMBL7741018

SCHEMBL7741018

CN(CCc1ccccc1)C(=O)COC(CCNC(=O)c1ccc(Cl)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.54
SIGMAR1 Q99720 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 3/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 2/20 0.42
FABP2 P12104 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
HDAC1 Q13547 1/20 0.41
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7742570 0.92 TMEM97 (0.57) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7742614 0.91 SIGMAR1 (0.53) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7741023 0.85 TMEM97 (0.45) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7741011 0.83 TMEM97 (0.43) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7741141 0.82 SIGMAR1 (0.56) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7740225 0.80 SIGMAR1 (0.54) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7739596 0.77 NPC1 (0.47) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL8123573 0.77 TMEM97 (0.56) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7741193 0.75 TMEM97 (0.47) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL7742567 0.74 TMEM97 (0.46) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A

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