SCHEMBL7741141

SCHEMBL7741141

CN(Cc1ccccc1)C(=O)COC(CCNC(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.56
TMEM97 Q5BJF2 9/20 0.56
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.46
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
CXCR3 P49682 1/20 0.42
ACKR3 P25106 1/20 0.42

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
SCHEMBL7740225 0.92 SIGMAR1 (0.54) SIGMAR1TMEM97KMT2AMEN1HPGD
SCHEMBL7742614 0.91 SIGMAR1 (0.53) SIGMAR1TMEM97KMT2AMEN1HPGD
SCHEMBL7742570 0.90 TMEM97 (0.57) SIGMAR1TMEM97ACHEALDH1A1RAB9A
SCHEMBL7741193 0.85 TMEM97 (0.47) SIGMAR1TMEM97KMT2AMEN1ALDH1A1
SCHEMBL7742567 0.84 TMEM97 (0.46) SIGMAR1TMEM97KMT2AMEN1KDM4E
SCHEMBL8115911 0.82 SIGMAR1 (0.54) SIGMAR1TMEM97KMT2AACHEHTT
SCHEMBL7741018 0.82 TMEM97 (0.54) SIGMAR1TMEM97KMT2AMEN1ACHE
SCHEMBL8115921 0.79 SIGMAR1 (0.55) SIGMAR1TMEM97ACHEALDH1A1KDM4E
SCHEMBL7740202 0.78 NPC1 (0.50) SIGMAR1TMEM97KMT2AMEN1ALDH1A1
SCHEMBL7741023 0.77 TMEM97 (0.45) SIGMAR1TMEM97KMT2AMEN1ALDH1A1

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